4-[7-bis(prop-2-enyl)phosphoryloxy-10,13-dimethyl-3-[2-[methyl-[4-(13-methyl-17-oxidanyl-3-oxidanylidene-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)phenyl]amino]ethoxy]-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Systemtic Name: 4-[7-bis(prop-2-enyl)phosphoryloxy-10,13-dimethyl-3-[2-[methyl-[4-(13-methyl-17-oxidanyl-3-oxidanylidene-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)phenyl]amino]ethoxy]-12-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: 4-[7-diallylphosphoryloxy-12-hydroxy-3-[2-[4-(17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methyl-anilino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: 4-[7-bis(prop-2-enyl)phosphoryloxy-12-hydroxy-3-[2-[4-(17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methylanilino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: 4-[7-bis(prop-2-enyl)phosphoryloxy-12-hydroxy-3-[2-[4-(17-hydroxy-13-methyl-3-oxo-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methylanilino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: 4-[7-diallylphosphoryloxy-12-hydroxy-3-[2-[4-(17-hydroxy-3-keto-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl)-N-methyl-anilino]ethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid Formula: C60H84NO8P MolecularWeight: 978.284621

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)CCOC6CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)O)C)O)OP(=O)(CC=C)CC=C)C)C)O

Isomeric SMILES

CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)CCOC6CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)O)C)O)OP(=O)(CC=C)CC=C)C)C)O

InChI

InChI=1S/C60H84NO8P/c1-9-26-60(66)28-25-49-46-19-15-40-33-43(62)18-20-45(40)55(46)47(37-58(49,60)6)39-13-16-42(17-14-39)61(8)29-30-68-44-24-27-57(5)41(34-44)35-52(69-70(67,31-10-2)32-11-3)56-50-22-21-48(38(4)12-23-54(64)65)59(50,7)53(63)36-51(56)57/h10-11,13-14,16-17,33,38,41,44,46-53,56,63,66H,2-3,12,15,18-25,27-32,34-37H2,1,4-8H3,(H,64,65)