[(8R,9S,10R,13S,14S)-17-acetyloxy-7-(4-methoxyphenyl)-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: [(8R,9S,10R,13S,14S)-17-acetyloxy-7-(4-methoxyphenyl)-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: [(8R,9S,10R,13S,14S)-17-acetoxy-7-(4-methoxyphenyl)-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 [(8R,9S,10R,13S,14S)-17-acetyloxy-7-(4-methoxyphenyl)-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: [(8R,9S,10R,13S,14S)-17-acetyloxy-7-(4-methoxyphenyl)-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 [(8R,9S,10R,13S,14S)-17-acetoxy-7-(4-methoxyphenyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C30H40O5 MolecularWeight: 480.6356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C3CCC4(C(C3C(C=C2C1)C5=CC=C(C=C5)OC)CCC4OC(=O)C)C)C

Isomeric SMILES

CC(=O)OC1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(C=C2C1)C5=CC=C(C=C5)OC)CCC4OC(=O)C)C)C

InChI

InChI=1S/C30H40O5/c1-18(31)34-23-12-14-29(3)21(16-23)17-24(20-6-8-22(33-5)9-7-20)28-25-10-11-27(35-19(2)32)30(25,4)15-13-26(28)29/h6-9,17,23-28H,10-16H2,1-5H3/t23?,24?,25-,26-,27?,28-,29-,30-/m0/s1