[(3S,5R,8R,9R,10S,13S,14S,17S)-17-cyano-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [(3S,5R,8R,9R,10S,13S,14S,17S)-17-cyano-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [(3S,5R,8R,9R,10S,13S,14S,17S)-17-cyano-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [(3S,5R,8R,9R,10S,13S,14S,17S)-17-cyano-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(3S,5R,8R,9R,10S,13S,14S,17S)-17-cyano-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [(3S,5R,8R,9R,10S,13S,14S,17S)-17-cyano-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC2C(C1)CCC3C2CCC4(C3CCC4C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO2/c1-13(23)24-16-5-7-17-14(11-16)3-6-19-18(17)9-10-21(2)15(12-22)4-8-20(19)21/h14-20H,3-11H2,1-2H3/t14-,15-,16+,17+,18-,19-,20+,21-/m1/s1