[(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-16-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-16-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-16-(3-pyridyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-16-(3-pyridinyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-16-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10R,13S,14S)-10,13-dimethyl-16-(3-pyridyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C26H33NO2 MolecularWeight: 391.54572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C=C(CC4C3CC=C2C1)C5=CN=CC=C5)C)C

Isomeric SMILES

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4(C=C(C[C@H]4[C@@H]3CC=C2C1)C5=CN=CC=C5)C)C

InChI

InChI=1S/C26H33NO2/c1-17(28)29-21-8-11-26(3)20(14-21)6-7-22-23(26)9-10-25(2)15-19(13-24(22)25)18-5-4-12-27-16-18/h4-6,12,15-16,21-24H,7-11,13-14H2,1-3H3/t21-,22+,23-,24-,25+,26-/m0/s1