2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate

C224H394N12O72 — CID 162245918

IUPAC2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate
SMILESC#CCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.C#CCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCC(CC)C(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCCCCCCCCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)C(C)(C)C)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)C(C)C)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)CCCCCCCCCN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C
InChIInChI=1S/C32H59NO8.C28H50N4O8.C26H47NO8.C24H43NO8.C24H39NO8.C23H41NO8.C23H37NO8.2C22H39NO8/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(36)41-22-21-33-31(39)24(2)23-26(35)30(40-6)29(38)28(37)25(34)19-20-32(3,4)5;1-20(19-22(34)26(39-5)25(37)24(36)21(33)14-15-28(2,3)4)27(38)30-17-18-40-23(35)13-11-9-7-6-8-10-12-16-31-32-29;1-8-10-11-18(9-2)25(33)35-15-14-27-24(32)17(3)16-20(29)23(34-7)22(31)21(30)19(28)12-13-26(4,5)6;2*1-7-8-9-10-19(28)33-14-13-25-23(31)16(2)15-18(27)22(32-6)21(30)20(29)17(26)11-12-24(3,4)5;1-14(20(29)24-11-12-32-21(30)23(5,6)7)13-16(26)19(31-8)18(28)17(27)15(25)9-10-22(2,3)4;1-7-8-9-18(27)32-13-12-24-22(30)15(2)14-17(26)21(31-6)20(29)19(28)16(25)10-11-23(3,4)5;1-13(2)21(29)31-11-10-23-20(28)14(3)12-16(25)19(30-7)18(27)17(26)15(24)8-9-22(4,5)6;1-7-8-17(26)31-12-11-23-21(29)14(2)13-16(25)20(30-6)19(28)18(27)15(24)9-10-22(3,4)5/h19-20,24-25,28-30,34,37-38H,7-18,21-23H2,1-6H3,(H,33,39);14-15,20-21,24-26,33,36-37H,6-13,16-19H2,1-5H3,(H,30,38);12-13,17-19,21-23,28,30-31H,8-11,14-16H2,1-7H3,(H,27,32);11-12,16-17,20-22,26,29-30H,7-10,13-15H2,1-6H3,(H,25,31);1,11-12,16-17,20-22,26,29-30H,8-10,13-15H2,2-6H3,(H,25,31);9-10,14-15,17-19,25,27-28H,11-13H2,1-8H3,(H,24,29);1,10-11,15-16,19-21,25,28-29H,8-9,12-14H2,2-6H3,(H,24,30);8-9,13-15,17-19,24,26-27H,10-12H2,1-7H3,(H,23,28);9-10,14-15,18-20,24,27-28H,7-8,11-13H2,1-6H3,(H,23,29)/b20-19+;15-14+;13-12+;2*12-11+;10-9+;11-10+;9-8+;10-9+/t24-,25-,28+,29-,30+;20-,21-,24+,25-,26+;17-,18?,19-,21+,22-,23+;2*16-,17-,20+,21-,22+;14-,15-,17+,18-,19+;15-,16-,19+,20-,21+;14-,15-,17+,18-,19+;14-,15-,18+,19-,20+/m111111111/s1
InChIKeyZXIFJKYOBARZEN-JTHAFYRLSA-N
MW4407.63 g/mol
LogP15.12
Rot. Bonds147

About 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate

2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate (PubChem CID 162245918) has the molecular formula C224H394N12O72 and a molecular weight of 4407.63 g/mol. Its IUPAC name is 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate.

Molecular Properties

Compound Name2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate
PubChem CID162245918
Molecular FormulaC224H394N12O72
Molecular Weight4407.63 g/mol
Exact Mass4404.75
IUPAC Name2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate
SMILESC#CCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.C#CCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCC(CC)C(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCCCCCCCCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)C(C)(C)C)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)C(C)C)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)CCCCCCCCCN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C
InChIInChI=1S/C32H59NO8.C28H50N4O8.C26H47NO8.C24H43NO8.C24H39NO8.C23H41NO8.C23H37NO8.2C22H39NO8/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(36)41-22-21-33-31(39)24(2)23-26(35)30(40-6)29(38)28(37)25(34)19-20-32(3,4)5;1-20(19-22(34)26(39-5)25(37)24(36)21(33)14-15-28(2,3)4)27(38)30-17-18-40-23(35)13-11-9-7-6-8-10-12-16-31-32-29;1-8-10-11-18(9-2)25(33)35-15-14-27-24(32)17(3)16-20(29)23(34-7)22(31)21(30)19(28)12-13-26(4,5)6;2*1-7-8-9-10-19(28)33-14-13-25-23(31)16(2)15-18(27)22(32-6)21(30)20(29)17(26)11-12-24(3,4)5;1-14(20(29)24-11-12-32-21(30)23(5,6)7)13-16(26)19(31-8)18(28)17(27)15(25)9-10-22(2,3)4;1-7-8-9-18(27)32-13-12-24-22(30)15(2)14-17(26)21(31-6)20(29)19(28)16(25)10-11-23(3,4)5;1-13(2)21(29)31-11-10-23-20(28)14(3)12-16(25)19(30-7)18(27)17(26)15(24)8-9-22(4,5)6;1-7-8-17(26)31-12-11-23-21(29)14(2)13-16(25)20(30-6)19(28)18(27)15(24)9-10-22(3,4)5/h19-20,24-25,28-30,34,37-38H,7-18,21-23H2,1-6H3,(H,33,39);14-15,20-21,24-26,33,36-37H,6-13,16-19H2,1-5H3,(H,30,38);12-13,17-19,21-23,28,30-31H,8-11,14-16H2,1-7H3,(H,27,32);11-12,16-17,20-22,26,29-30H,7-10,13-15H2,1-6H3,(H,25,31);1,11-12,16-17,20-22,26,29-30H,8-10,13-15H2,2-6H3,(H,25,31);9-10,14-15,17-19,25,27-28H,11-13H2,1-8H3,(H,24,29);1,10-11,15-16,19-21,25,28-29H,8-9,12-14H2,2-6H3,(H,24,30);8-9,13-15,17-19,24,26-27H,10-12H2,1-7H3,(H,23,28);9-10,14-15,18-20,24,27-28H,7-8,11-13H2,1-6H3,(H,23,29)/b20-19+;15-14+;13-12+;2*12-11+;10-9+;11-10+;9-8+;10-9+/t24-,25-,28+,29-,30+;20-,21-,24+,25-,26+;17-,18?,19-,21+,22-,23+;2*16-,17-,20+,21-,22+;14-,15-,17+,18-,19+;15-,16-,19+,20-,21+;14-,15-,17+,18-,19+;14-,15-,18+,19-,20+/m111111111/s1
InChIKeyZXIFJKYOBARZEN-JTHAFYRLSA-N
XLogP15.12
TPSA1330.27 Ų
H-Bond Donors36
H-Bond Acceptors73
Rotatable Bonds147
Heavy Atoms308
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004407.63
LogP ≤ 515.12
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1073

Analyze 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate with MolForge

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Related Compounds

2-[[(2S)-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enoyl]amino]propanoyl]amino]ethyl butanoate
CID 123809428
2-[[(2S)-2-[[(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enoyl]amino]propanoyl]amino]ethyl cyclopropanecarboxylate
CID 123136420
dioctyl 2-ethylpentadecanedioate
CID 87116486
2-azidoethyl octadecanoate
CID 141274315
dibutyl 2-ethylnonadecanedioate
CID 87116783
[(3S)-1-methyl-7-oxo-6-[[(E,2R,3S,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enoyl]amino]azepan-3-yl] tetradecanoate
CID 24840581
bis(3-methylbutyl) 2-ethyloctadecanedioate;dipentyl 2-ethyloctadecanedioate
CID 89462973
propyl undec-10-ynoate
CID 91697638
15-azidopentadecanoyl hexadecanoate
CID 123227762
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl 2-hexyldecanoate
CID 177295744
2,2-dinitropropyl 2-butyloctanoate;2,2-dinitropropyl 2-ethylhexanoate;2,2-dinitropropyl hexanoate;2,2-dinitropropyl 2-hexyldecanoate;2,2-dinitropropyl octanoate
CID 159977875
tert-butyl 18-(3-azidopropylamino)-18-oxooctadecanoate
CID 121333119

Frequently Asked Questions

What is the IUPAC name of 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate?
The IUPAC name of 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate (CID 162245918) is 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate.
What is the SMILES notation for 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate?
The canonical SMILES for 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate is C#CCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.C#CCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCC(CC)C(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CCCCCCCCCCCCCC(=O)OCCNC(=O)[C@H](C)CC(=O)[C@H](OC)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)C(C)(C)C)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)C(C)C)[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.CO[C@@H](C(=O)C[C@@H](C)C(=O)NCCOC(=O)CCCCCCCCCN=[N+]=[N-])[C@H](O)[C@@H](O)[C@H](O)/C=C/C(C)(C)C.
What is the InChIKey of 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate?
The InChIKey is ZXIFJKYOBARZEN-JTHAFYRLSA-N. The full InChI is InChI=1S/C32H59NO8.C28H50N4O8.C26H47NO8.C24H43NO8.C24H39NO8.C23H41NO8.C23H37NO8.2C22H39NO8/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(36)41-22-21-33-31(39)24(2)23-26(35)30(40-6)29(38)28(37)25(34)19-20-32(3,4)5;1-20(19-22(34)26(39-5)25(37)24(36)21(33)14-15-28(2,3)4)27(38)30-17-18-40-23(35)13-11-9-7-6-8-10-12-16-31-32-29;1-8-10-11-18(9-2)25(33)35-15-14-27-24(32)17(3)16-20(29)23(34-7)22(31)21(30)19(28)12-13-26(4,5)6;2*1-7-8-9-10-19(28)33-14-13-25-23(31)16(2)15-18(27)22(32-6)21(30)20(29)17(26)11-12-24(3,4)5;1-14(20(29)24-11-12-32-21(30)23(5,6)7)13-16(26)19(31-8)18(28)17(27)15(25)9-10-22(2,3)4;1-7-8-9-18(27)32-13-12-24-22(30)15(2)14-17(26)21(31-6)20(29)19(28)16(25)10-11-23(3,4)5;1-13(2)21(29)31-11-10-23-20(28)14(3)12-16(25)19(30-7)18(27)17(26)15(24)8-9-22(4,5)6;1-7-8-17(26)31-12-11-23-21(29)14(2)13-16(25)20(30-6)19(28)18(27)15(24)9-10-22(3,4)5/h19-20,24-25,28-30,34,37-38H,7-18,21-23H2,1-6H3,(H,33,39);14-15,20-21,24-26,33,36-37H,6-13,16-19H2,1-5H3,(H,30,38);12-13,17-19,21-23,28,30-31H,8-11,14-16H2,1-7H3,(H,27,32);11-12,16-17,20-22,26,29-30H,7-10,13-15H2,1-6H3,(H,25,31);1,11-12,16-17,20-22,26,29-30H,8-10,13-15H2,2-6H3,(H,25,31);9-10,14-15,17-19,25,27-28H,11-13H2,1-8H3,(H,24,29);1,10-11,15-16,19-21,25,28-29H,8-9,12-14H2,2-6H3,(H,24,30);8-9,13-15,17-19,24,26-27H,10-12H2,1-7H3,(H,23,28);9-10,14-15,18-20,24,27-28H,7-8,11-13H2,1-6H3,(H,23,29)/b20-19+;15-14+;13-12+;2*12-11+;10-9+;11-10+;9-8+;10-9+/t24-,25-,28+,29-,30+;20-,21-,24+,25-,26+;17-,18?,19-,21+,22-,23+;2*16-,17-,20+,21-,22+;14-,15-,17+,18-,19+;15-,16-,19+,20-,21+;14-,15-,17+,18-,19+;14-,15-,18+,19-,20+/m111111111/s1.
What are the key properties of 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate?
2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate has a molecular weight of 4407.63 g/mol, XLogP of 15.12, 147 rotatable bonds, 36 hydrogen bond donors, and 73 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 10-azidodecanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl butanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2,2-dimethylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-ethylhexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hexanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl hex-5-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl 2-methylpropanoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl pent-4-ynoate;2-[[(E,2R,5R,6R,7S,8R)-6,7,8-trihydroxy-5-methoxy-2,11,11-trimethyl-4-oxododec-9-enoyl]amino]ethyl tetradecanoate is sourced from PubChem (CID 162245918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).