[(3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-cyano-1-oxidanyl-ethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-cyano-1-oxidanyl-ethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-cyano-1-hydroxy-ethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-cyano-1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-cyano-1-hydroxyethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3R,5S,8R,9S,10S,13S,14S,17S)-17-(1-cyano-1-hydroxy-ethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C24H37NO3 MolecularWeight: 387.55548

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C(C)(C#N)O)C)C

Isomeric SMILES

CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(C)(C#N)O)C)C

InChI

InChI=1S/C24H37NO3/c1-15(26)28-17-9-11-22(2)16(13-17)5-6-18-19-7-8-21(24(4,27)14-25)23(19,3)12-10-20(18)22/h16-21,27H,5-13H2,1-4H3/t16-,17+,18-,19-,20-,21-,22-,23-,24?/m0/s1