[(3S,8S,9S,10R,13S,14S,16R,17S)-16-(1,1-dicyano-3-oxidanylidene-3-phenyl-propyl)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-16-(1,1-dicyano-3-oxidanylidene-3-phenyl-propyl)-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-16-(1,1-dicyano-3-oxo-3-phenyl-propyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-16-(1,1-dicyano-3-oxo-3-phenylpropyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-16-(1,1-dicyano-3-oxo-3-phenylpropyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-16-(1,1-dicyano-3-keto-3-phenyl-propyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C34H40N2O4 MolecularWeight: 540.6924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(CC(=O)C5=CC=CC=C5)(C#N)C#N

Isomeric SMILES

CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)C(CC(=O)C5=CC=CC=C5)(C#N)C#N

InChI

InChI=1S/C34H40N2O4/c1-21(37)31-29(34(19-35,20-36)18-30(39)23-8-6-5-7-9-23)17-28-26-11-10-24-16-25(40-22(2)38)12-14-32(24,3)27(26)13-15-33(28,31)4/h5-10,25-29,31H,11-18H2,1-4H3/t25-,26+,27-,28-,29+,31-,32-,33-/m0/s1