(8S,9R,10R,11S,13S,14S,17R)-11-(4-dimethylaminophenyl)-10,13-dimethyl-17-oxidanyl-17-[(Z)-3-oxidanylprop-1-enyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,9R,10R,11S,13S,14S,17R)-11-(4-dimethylaminophenyl)-10,13-dimethyl-17-oxidanyl-17-[(Z)-3-oxidanylprop-1-enyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-oxidanyl-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,9R,10R,11S,13S,14S,17R)-11-(4-dimethylaminophenyl)-17-hydroxy-17-[(Z)-3-hydroxyprop-1-enyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,9R,10R,11S,13S,14S,17R)-11-(4-dimethylaminophenyl)-17-hydroxy-17-[(Z)-3-hydroxyprop-1-enyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,9R,10R,11S,13S,14S,17R)-11-(4-dimethylaminophenyl)-17-hydroxy-17-[(Z)-3-hydroxyprop-1-enyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,9R,10R,11S,13S,14S,17R)-11-(4-dimethylaminophenyl)-17-hydroxy-17-[(Z)-3-hydroxyprop-1-enyl]-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; (8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14-decahydrocyclopenta[a]phenanthren-3-one Formula: C51H67NO5 MolecularWeight: 774.08138

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3C(C1C=CC2(C#C)O)CCC4=CC(=O)CCC34.CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C=CCO)O)C)C5=CC=C(C=C5)N(C)C

Isomeric SMILES

CC[C@]12CC[C@H]3[C@H]([C@@H]1C=C[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(/C=C\CO)O)C)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C30H41NO3.C21H26O2/c1-28-15-12-23(33)18-21(28)8-11-24-26-13-16-30(34,14-5-17-32)29(26,2)19-25(27(24)28)20-6-9-22(10-7-20)31(3)4;1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h5-7,9-10,14,18,24-27,32,34H,8,11-13,15-17,19H2,1-4H3;2,10,12-13,16-19,23H,3,5-9,11H2,1H3/b14-5-;/t24-,25+,26-,27+,28-,29-,30-;16-,17+,18+,19-,20-,21-/m00/s1