[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

C356H540O59 — CID 159671549

IUPAC[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
SMILESCC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCC(C)(C)COCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCCCCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCOCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COOCc4ccc(C(=O)OCC(O)COC(=O)C5(C)CCCC6(C)C7CCC(C(C)C)=CC7=CCC56)cc4)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COc4cccc(OCC(O)COC(=O)C5(C)CCCC6(C)C7CCC(C(C)C)=CC7=CCC56)c4)CCCC3(C)C2CC1.CC(COCC(O)COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12)OCC(O)COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12
InChIInChI=1S/C54H76O10.C52H74O8.C52H82O8.C51H80O8.C50H78O9.C49H76O8.C48H74O8/c1-34(2)38-15-19-44-40(27-38)17-21-46-51(44,5)23-9-25-53(46,7)49(58)61-31-42(55)30-60-48(57)37-13-11-36(12-14-37)29-63-64-33-43(56)32-62-50(59)54(8)26-10-24-52(6)45-20-16-39(35(3)4)28-41(45)18-22-47(52)54;1-33(2)35-14-18-43-37(26-35)16-20-45-49(43,5)22-10-24-51(45,7)47(55)59-31-39(53)29-57-41-12-9-13-42(28-41)58-30-40(54)32-60-48(56)52(8)25-11-23-50(6)44-19-15-36(34(3)4)27-38(44)17-21-46(50)52;1-35(2)37-15-19-43-39(29-37)17-21-45-49(43,5)23-13-25-51(45,7)47(55)59-33-41(53)31-57-27-11-9-10-12-28-58-32-42(54)34-60-48(56)52(8)26-14-24-50(6)44-20-16-38(36(3)4)30-40(44)18-22-46(50)52;1-33(2)35-13-17-41-37(25-35)15-19-43-48(41,7)21-11-23-50(43,9)45(54)58-29-39(52)27-56-31-47(5,6)32-57-28-40(53)30-59-46(55)51(10)24-12-22-49(8)42-18-14-36(34(3)4)26-38(42)16-20-44(49)51;1-33(2)35-11-15-41-37(27-35)13-17-43-47(41,5)19-9-21-49(43,7)45(53)58-31-39(51)29-56-25-23-55-24-26-57-30-40(52)32-59-46(54)50(8)22-10-20-48(6)42-16-12-36(34(3)4)28-38(42)14-18-44(48)50;1-31(2)34-12-16-40-36(24-34)14-18-42-46(40,6)20-10-22-48(42,8)44(52)56-29-38(50)27-54-26-33(5)55-28-39(51)30-57-45(53)49(9)23-11-21-47(7)41-17-13-35(32(3)4)25-37(41)15-19-43(47)49;1-31(2)33-11-15-39-35(25-33)13-17-41-45(39,5)19-9-21-47(41,7)43(51)55-29-37(49)27-53-23-24-54-28-38(50)30-56-44(52)48(8)22-10-20-46(6)40-16-12-34(32(3)4)26-36(40)14-18-42(46)48/h11-14,17-18,27-28,34-35,42-47,55-56H,9-10,15-16,19-26,29-33H2,1-8H3;9,12-13,16-17,26-28,33-34,39-40,43-46,53-54H,10-11,14-15,18-25,29-32H2,1-8H3;17-18,29-30,35-36,41-46,53-54H,9-16,19-28,31-34H2,1-8H3;15-16,25-26,33-34,39-44,52-53H,11-14,17-24,27-32H2,1-10H3;13-14,27-28,33-34,39-44,51-52H,9-12,15-26,29-32H2,1-8H3;14-15,24-25,31-33,38-43,50-51H,10-13,16-23,26-30H2,1-9H3;13-14,25-26,31-32,37-42,49-50H,9-12,15-24,27-30H2,1-8H3
InChIKeyMUBHIXYSAYQPTP-UHFFFAOYSA-N
MW5764.18 g/mol
LogP69.38
Rot. Bonds113

About [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate

[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate (PubChem CID 159671549) has the molecular formula C356H540O59 and a molecular weight of 5764.18 g/mol. Its IUPAC name is [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.

Molecular Properties

Compound Name[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
PubChem CID159671549
Molecular FormulaC356H540O59
Molecular Weight5764.18 g/mol
Exact Mass5759.93
IUPAC Name[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
SMILESCC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCC(C)(C)COCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCCCCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCOCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COOCc4ccc(C(=O)OCC(O)COC(=O)C5(C)CCCC6(C)C7CCC(C(C)C)=CC7=CCC56)cc4)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COc4cccc(OCC(O)COC(=O)C5(C)CCCC6(C)C7CCC(C(C)C)=CC7=CCC56)c4)CCCC3(C)C2CC1.CC(COCC(O)COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12)OCC(O)COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12
InChIInChI=1S/C54H76O10.C52H74O8.C52H82O8.C51H80O8.C50H78O9.C49H76O8.C48H74O8/c1-34(2)38-15-19-44-40(27-38)17-21-46-51(44,5)23-9-25-53(46,7)49(58)61-31-42(55)30-60-48(57)37-13-11-36(12-14-37)29-63-64-33-43(56)32-62-50(59)54(8)26-10-24-52(6)45-20-16-39(35(3)4)28-41(45)18-22-47(52)54;1-33(2)35-14-18-43-37(26-35)16-20-45-49(43,5)22-10-24-51(45,7)47(55)59-31-39(53)29-57-41-12-9-13-42(28-41)58-30-40(54)32-60-48(56)52(8)25-11-23-50(6)44-19-15-36(34(3)4)27-38(44)17-21-46(50)52;1-35(2)37-15-19-43-39(29-37)17-21-45-49(43,5)23-13-25-51(45,7)47(55)59-33-41(53)31-57-27-11-9-10-12-28-58-32-42(54)34-60-48(56)52(8)26-14-24-50(6)44-20-16-38(36(3)4)30-40(44)18-22-46(50)52;1-33(2)35-13-17-41-37(25-35)15-19-43-48(41,7)21-11-23-50(43,9)45(54)58-29-39(52)27-56-31-47(5,6)32-57-28-40(53)30-59-46(55)51(10)24-12-22-49(8)42-18-14-36(34(3)4)26-38(42)16-20-44(49)51;1-33(2)35-11-15-41-37(27-35)13-17-43-47(41,5)19-9-21-49(43,7)45(53)58-31-39(51)29-56-25-23-55-24-26-57-30-40(52)32-59-46(54)50(8)22-10-20-48(6)42-16-12-36(34(3)4)28-38(42)14-18-44(48)50;1-31(2)34-12-16-40-36(24-34)14-18-42-46(40,6)20-10-22-48(42,8)44(52)56-29-38(50)27-54-26-33(5)55-28-39(51)30-57-45(53)49(9)23-11-21-47(7)41-17-13-35(32(3)4)25-37(41)15-19-43(47)49;1-31(2)33-11-15-39-35(25-33)13-17-41-45(39,5)19-9-21-47(41,7)43(51)55-29-37(49)27-53-23-24-54-28-38(50)30-56-44(52)48(8)22-10-20-46(6)40-16-12-34(32(3)4)26-36(40)14-18-42(46)48/h11-14,17-18,27-28,34-35,42-47,55-56H,9-10,15-16,19-26,29-33H2,1-8H3;9,12-13,16-17,26-28,33-34,39-40,43-46,53-54H,10-11,14-15,18-25,29-32H2,1-8H3;17-18,29-30,35-36,41-46,53-54H,9-16,19-28,31-34H2,1-8H3;15-16,25-26,33-34,39-44,52-53H,11-14,17-24,27-32H2,1-10H3;13-14,27-28,33-34,39-44,51-52H,9-12,15-26,29-32H2,1-8H3;14-15,24-25,31-33,38-43,50-51H,10-13,16-23,26-30H2,1-9H3;13-14,25-26,31-32,37-42,49-50H,9-12,15-24,27-30H2,1-8H3
InChIKeyMUBHIXYSAYQPTP-UHFFFAOYSA-N
XLogP69.38
TPSA816.17 Ų
H-Bond Donors14
H-Bond Acceptors59
Rotatable Bonds113
Heavy Atoms415
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005764.18
LogP ≤ 569.38
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1059

Analyze [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate with MolForge

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Related Compounds

[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 158591968
[3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]cyclohexyl]propan-2-yl]cyclohexyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 160502068
(1R,4aR,4bS,10aS)-N-[2-[[(1R,4aR,4bS,10aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl]amino]ethyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxamide
CID 124766993
[3-[2-[4-[[4-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;[3-[2-[4-[2-[4-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;[3-[4-[[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]methyl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;[3-[4-[2-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;[3-[4-[4-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenyl]sulfonylphenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate;[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-4-hydroxy-4-methylcyclohexyl]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 158288807
tris(2-methylpropyl)stannyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 16683742
(1R,4aR,4bR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
CID 118395392
2-[2-[2-(13,15-dioxo-8-thia-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaen-14-yl)ethoxy]ethoxy]ethyl 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 59649980
(1R,4aR,4bR)-N,N-dibenzyl-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxamide
CID 70595115
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 25099
(4-nitrophenyl) (1R,4aR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
CID 10093784
(1R,4aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;manganese
CID 11394172
(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;barium(2+)
CID 21118173

Frequently Asked Questions

What is the IUPAC name of [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate?
The IUPAC name of [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate (CID 159671549) is [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.
What is the SMILES notation for [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate?
The canonical SMILES for [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate is CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCC(C)(C)COCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCCCCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COCCOCCOCC(O)COC(=O)C4(C)CCCC5(C)C6CCC(C(C)C)=CC6=CCC45)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COOCc4ccc(C(=O)OCC(O)COC(=O)C5(C)CCCC6(C)C7CCC(C(C)C)=CC7=CCC56)cc4)CCCC3(C)C2CC1.CC(C)C1=CC2=CCC3C(C)(C(=O)OCC(O)COc4cccc(OCC(O)COC(=O)C5(C)CCCC6(C)C7CCC(C(C)C)=CC7=CCC56)c4)CCCC3(C)C2CC1.CC(COCC(O)COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12)OCC(O)COC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12.
What is the InChIKey of [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate?
The InChIKey is MUBHIXYSAYQPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H76O10.C52H74O8.C52H82O8.C51H80O8.C50H78O9.C49H76O8.C48H74O8/c1-34(2)38-15-19-44-40(27-38)17-21-46-51(44,5)23-9-25-53(46,7)49(58)61-31-42(55)30-60-48(57)37-13-11-36(12-14-37)29-63-64-33-43(56)32-62-50(59)54(8)26-10-24-52(6)45-20-16-39(35(3)4)28-41(45)18-22-47(52)54;1-33(2)35-14-18-43-37(26-35)16-20-45-49(43,5)22-10-24-51(45,7)47(55)59-31-39(53)29-57-41-12-9-13-42(28-41)58-30-40(54)32-60-48(56)52(8)25-11-23-50(6)44-19-15-36(34(3)4)27-38(44)17-21-46(50)52;1-35(2)37-15-19-43-39(29-37)17-21-45-49(43,5)23-13-25-51(45,7)47(55)59-33-41(53)31-57-27-11-9-10-12-28-58-32-42(54)34-60-48(56)52(8)26-14-24-50(6)44-20-16-38(36(3)4)30-40(44)18-22-46(50)52;1-33(2)35-13-17-41-37(25-35)15-19-43-48(41,7)21-11-23-50(43,9)45(54)58-29-39(52)27-56-31-47(5,6)32-57-28-40(53)30-59-46(55)51(10)24-12-22-49(8)42-18-14-36(34(3)4)26-38(42)16-20-44(49)51;1-33(2)35-11-15-41-37(27-35)13-17-43-47(41,5)19-9-21-49(43,7)45(53)58-31-39(51)29-56-25-23-55-24-26-57-30-40(52)32-59-46(54)50(8)22-10-20-48(6)42-16-12-36(34(3)4)28-38(42)14-18-44(48)50;1-31(2)34-12-16-40-36(24-34)14-18-42-46(40,6)20-10-22-48(42,8)44(52)56-29-38(50)27-54-26-33(5)55-28-39(51)30-57-45(53)49(9)23-11-21-47(7)41-17-13-35(32(3)4)25-37(41)15-19-43(47)49;1-31(2)33-11-15-39-35(25-33)13-17-41-45(39,5)19-9-21-47(41,7)43(51)55-29-37(49)27-53-23-24-54-28-38(50)30-56-44(52)48(8)22-10-20-46(6)40-16-12-34(32(3)4)26-36(40)14-18-42(46)48/h11-14,17-18,27-28,34-35,42-47,55-56H,9-10,15-16,19-26,29-33H2,1-8H3;9,12-13,16-17,26-28,33-34,39-40,43-46,53-54H,10-11,14-15,18-25,29-32H2,1-8H3;17-18,29-30,35-36,41-46,53-54H,9-16,19-28,31-34H2,1-8H3;15-16,25-26,33-34,39-44,52-53H,11-14,17-24,27-32H2,1-10H3;13-14,27-28,33-34,39-44,51-52H,9-12,15-26,29-32H2,1-8H3;14-15,24-25,31-33,38-43,50-51H,10-13,16-23,26-30H2,1-9H3;13-14,25-26,31-32,37-42,49-50H,9-12,15-24,27-30H2,1-8H3.
What are the key properties of [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate?
[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate has a molecular weight of 5764.18 g/mol, XLogP of 69.38, 113 rotatable bonds, 14 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]-2,2-dimethylpropoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]ethoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[6-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]hexoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[3-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[2-[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropoxy]propoxy]-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate;[3-[4-[[3-(1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl)oxy-2-hydroxypropyl]peroxymethyl]benzoyl]oxy-2-hydroxypropyl] 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate is sourced from PubChem (CID 159671549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).