(8S,11R,13S,14S,17R)-11-(4-dimethylaminophenyl)-17-ethanoyl-17-ethynyl-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (8S,11R,13S,14S,17R)-11-(4-dimethylaminophenyl)-17-ethanoyl-17-ethynyl-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-17-ethynyl-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-17-ethynyl-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-17-ethynyl-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-17-ethynyl-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C30H35NO2 MolecularWeight: 441.6044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)C#C

Isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)C#C

InChI

InChI=1S/C30H35NO2/c1-6-30(19(2)32)16-15-27-25-13-9-21-17-23(33)12-14-24(21)28(25)26(18-29(27,30)3)20-7-10-22(11-8-20)31(4)5/h1,7-8,10-11,17,25-27H,9,12-16,18H2,2-5H3/t25-,26+,27-,29-,30+/m0/s1