[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate

C257H410O49 — CID 159607381

IUPAC[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate
SMILESC=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(CC)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](OC(=O)/C(C)=C/C)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]2(CO)[C@H](O)C1
InChIInChI=1S/3C46H72O9.2C41H66O8.C37H62O6/c1-14-18-33-43(11)21-20-35(54-39(51)29(6)16-3)44(12,27-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)37(55-40(52)30(7)17-4)36(49)46(31,26-47)34(48)25-42;1-14-18-33-43(11)21-20-34(47)44(12,26-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)37(55-40(52)30(7)17-4)36(49)46(31,35(48)25-42)27-54-39(51)29(6)16-3;1-14-18-33-43(11)21-20-34(47)44(12,26-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)36(49)37(55-40(52)30(7)17-4)46(31,35(48)25-42)27-54-39(51)29(6)16-3;1-12-15-29-38(9)18-17-30(43)39(10,24-48-34(46)25(4)13-2)28(38)16-19-40(29,11)37(8)21-27-20-36(6,7)32(45)33(49-35(47)26(5)14-3)41(27,23-42)31(44)22-37;1-12-15-29-38(9)18-17-30(42)39(10,23-48-34(46)25(4)13-2)28(38)16-19-40(29,11)37(8)21-27-20-36(6,7)32(44)33(45)41(27,31(43)22-37)24-49-35(47)26(5)14-3;1-11-14-26-34(8)17-16-27(38)35(9,22-43-31(42)23(4)12-2)25(34)15-18-36(26,10)33(7)20-24-19-32(5,6)29(40)30(41)37(24,13-3)28(39)21-33/h3*14-17,31-37,47-49H,1,18-27H2,2-13H3;2*12-14,27-33,42-45H,1,15-24H2,2-11H3;11-12,24-30,38-41H,1,13-22H2,2-10H3/b3*28-15+,29-16+,30-17+;2*25-13+,26-14+;23-12+/t31?,32?,33?,34-,35+,36+,37+,42+,43+,44-,45-,46+;2*31?,32?,33?,34-,35+,36-,37-,42-,43-,44+,45+,46-;2*27?,28?,29?,30-,31+,32-,33-,37-,38-,39+,40+,41-;24?,25?,26?,27-,28+,29-,30-,33-,34-,35+,36+,37-/m100000/s1
InChIKeyMMGFJUWVULWSCM-WRBILDBBSA-N
MW4284.06 g/mol
LogP44.63
Rot. Bonds58

About [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate

[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate (PubChem CID 159607381) has the molecular formula C257H410O49 and a molecular weight of 4284.06 g/mol. Its IUPAC name is [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Name[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate
PubChem CID159607381
Molecular FormulaC257H410O49
Molecular Weight4284.06 g/mol
Exact Mass4280.96
IUPAC Name[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate
SMILESC=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(CC)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](OC(=O)/C(C)=C/C)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]2(CO)[C@H](O)C1
InChIInChI=1S/3C46H72O9.2C41H66O8.C37H62O6/c1-14-18-33-43(11)21-20-35(54-39(51)29(6)16-3)44(12,27-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)37(55-40(52)30(7)17-4)36(49)46(31,26-47)34(48)25-42;1-14-18-33-43(11)21-20-34(47)44(12,26-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)37(55-40(52)30(7)17-4)36(49)46(31,35(48)25-42)27-54-39(51)29(6)16-3;1-14-18-33-43(11)21-20-34(47)44(12,26-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)36(49)37(55-40(52)30(7)17-4)46(31,35(48)25-42)27-54-39(51)29(6)16-3;1-12-15-29-38(9)18-17-30(43)39(10,24-48-34(46)25(4)13-2)28(38)16-19-40(29,11)37(8)21-27-20-36(6,7)32(45)33(49-35(47)26(5)14-3)41(27,23-42)31(44)22-37;1-12-15-29-38(9)18-17-30(42)39(10,23-48-34(46)25(4)13-2)28(38)16-19-40(29,11)37(8)21-27-20-36(6,7)32(44)33(45)41(27,31(43)22-37)24-49-35(47)26(5)14-3;1-11-14-26-34(8)17-16-27(38)35(9,22-43-31(42)23(4)12-2)25(34)15-18-36(26,10)33(7)20-24-19-32(5,6)29(40)30(41)37(24,13-3)28(39)21-33/h3*14-17,31-37,47-49H,1,18-27H2,2-13H3;2*12-14,27-33,42-45H,1,15-24H2,2-11H3;11-12,24-30,38-41H,1,13-22H2,2-10H3/b3*28-15+,29-16+,30-17+;2*25-13+,26-14+;23-12+/t31?,32?,33?,34-,35+,36+,37+,42+,43+,44-,45-,46+;2*31?,32?,33?,34-,35+,36-,37-,42-,43-,44+,45+,46-;2*27?,28?,29?,30-,31+,32-,33-,37-,38-,39+,40+,41-;24?,25?,26?,27-,28+,29-,30-,33-,34-,35+,36+,37-/m100000/s1
InChIKeyMMGFJUWVULWSCM-WRBILDBBSA-N
XLogP44.63
TPSA793.03 Ų
H-Bond Donors21
H-Bond Acceptors49
Rotatable Bonds58
Heavy Atoms306
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004284.06
LogP ≤ 544.63
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1049

Analyze [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate with MolForge

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Related Compounds

[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (Z)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-(3-methylbut-2-enoyloxy)-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-(3-methylbut-2-enoyloxy)-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-(3-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 3-methylbut-2-enoate
CID 161210809
[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-(2-methylbut-2-enoyloxy)-4a-(2-methylbut-2-enoyloxymethyl)-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl 2-methylbut-2-enoate
CID 123307389
[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-3,8,10-trihydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-9-(2-methylbut-2-enoyloxy)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methyl 2-methylbut-2-enoate
CID 123916972
[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bS)-14b-ethenyl-3,8,10-trihydroxy-4,6a,6b,11,11-pentamethyl-9-[(Z)-2-methylbut-2-enoyl]oxy-8a-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methyl (Z)-2-methylbut-2-enoate
CID 126497074
[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-3,8,9,10-tetrahydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[[(Z)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-4-yl]methyl (E)-2-methylbut-2-enoate
CID 70936795
[(4aR,6aR,6aS,6bR,8aR,9S,12aR,14bS)-4,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (E)-2-methylbut-2-enoate
CID 101426287
[(3R,4R,4aR,5S,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-4,5,10-trihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] 2-methylbut-2-enoate
CID 162878307
(2R,3R,4S,5R,6S)-6-[[(3R,4S,4aR,6aR,6bS,8S,8aR,9R,10R,12aR,14aR,14bR)-8,9-dihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-8a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 163078939
[(1S,2S,4aR,6R)-6-[(4R)-4-[(1R,2R,3R)-2,3-dihydroxy-4,4-dimethyl-1-[[(E)-2-methylbut-2-enoyl]oxymethyl]cyclohexyl]-4-hydroxy-2-methylbutan-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate
CID 126492845
[(3R,4R,4aR,5R,6aS,6bR,9S,10S,12aR)-3,4,5,10-tetrahydroxy-2,2,6a,6b,9,12a-hexamethyl-9-[[(E)-2-methylbut-2-enoyl]oxymethyl]-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-4a-yl]methyl hexanoate;ethane;propane
CID 161190966
[(3R,4R,4aR,5R,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-5,10-dihydroxy-4a,9-bis(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-(2-methylpropanoyloxy)-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate
CID 46888250
[(3R,4R,4aR,5S,6R,6aS,6bR,9S,10S,12aR)-5,6,10-trihydroxy-4a-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-(2-methylpropanoyloxy)-9-sulfanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicen-3-yl] (Z)-2-methylbut-2-enoate
CID 156542487

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate?
The IUPAC name of [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate (CID 159607381) is [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate.
What is the SMILES notation for [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate?
The canonical SMILES for [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate is C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(CC)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](O)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@]2(CO)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](O)[C@H](OC(=O)/C(C)=C/C)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](O)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]2(COC(=O)/C(C)=C/C)[C@H](O)C1.C=CCC1[C@@]2(C)CC[C@H](OC(=O)/C(C)=C/C)[C@](C)(COC(=O)/C(C)=C/C)C2CC[C@@]1(C)[C@@]1(C)CC2CC(C)(C)[C@@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]2(CO)[C@H](O)C1.
What is the InChIKey of [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate?
The InChIKey is MMGFJUWVULWSCM-WRBILDBBSA-N. The full InChI is InChI=1S/3C46H72O9.2C41H66O8.C37H62O6/c1-14-18-33-43(11)21-20-35(54-39(51)29(6)16-3)44(12,27-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)37(55-40(52)30(7)17-4)36(49)46(31,26-47)34(48)25-42;1-14-18-33-43(11)21-20-34(47)44(12,26-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)37(55-40(52)30(7)17-4)36(49)46(31,35(48)25-42)27-54-39(51)29(6)16-3;1-14-18-33-43(11)21-20-34(47)44(12,26-53-38(50)28(5)15-2)32(43)19-22-45(33,13)42(10)24-31-23-41(8,9)36(49)37(55-40(52)30(7)17-4)46(31,35(48)25-42)27-54-39(51)29(6)16-3;1-12-15-29-38(9)18-17-30(43)39(10,24-48-34(46)25(4)13-2)28(38)16-19-40(29,11)37(8)21-27-20-36(6,7)32(45)33(49-35(47)26(5)14-3)41(27,23-42)31(44)22-37;1-12-15-29-38(9)18-17-30(42)39(10,23-48-34(46)25(4)13-2)28(38)16-19-40(29,11)37(8)21-27-20-36(6,7)32(44)33(45)41(27,31(43)22-37)24-49-35(47)26(5)14-3;1-11-14-26-34(8)17-16-27(38)35(9,22-43-31(42)23(4)12-2)25(34)15-18-36(26,10)33(7)20-24-19-32(5,6)29(40)30(41)37(24,13-3)28(39)21-33/h3*14-17,31-37,47-49H,1,18-27H2,2-13H3;2*12-14,27-33,42-45H,1,15-24H2,2-11H3;11-12,24-30,38-41H,1,13-22H2,2-10H3/b3*28-15+,29-16+,30-17+;2*25-13+,26-14+;23-12+/t31?,32?,33?,34-,35+,36+,37+,42+,43+,44-,45-,46+;2*31?,32?,33?,34-,35+,36-,37-,42-,43-,44+,45+,46-;2*27?,28?,29?,30-,31+,32-,33-,37-,38-,39+,40+,41-;24?,25?,26?,27-,28+,29-,30-,33-,34-,35+,36+,37-/m100000/s1.
What are the key properties of [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate?
[(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate has a molecular weight of 4284.06 g/mol, XLogP of 44.63, 58 rotatable bonds, 21 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4aR,6R)-6-[(2S,4R,4aS,5R,6R)-4a-ethyl-4,5,6-trihydroxy-2,7,7-trimethyl-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-1,4a,6-trimethyl-2-[(E)-2-methylbut-2-enoyl]oxy-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-4a-(hydroxymethyl)-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5-dihydroxy-2,7,7-trimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,6-dihydroxy-2,7,7-trimethyl-5-[(E)-2-methylbut-2-enoyl]oxy-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate;[(1S,2S,4aR,6R)-6-[(2S,4R,4aR,5R,6R)-4,5,6-trihydroxy-2,7,7-trimethyl-4a-[[(E)-2-methylbut-2-enoyl]oxymethyl]-3,4,5,6,8,8a-hexahydro-1H-naphthalen-2-yl]-2-hydroxy-1,4a,6-trimethyl-5-prop-2-enyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 159607381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).