[(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-7-(1-hydroxyethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] ethanoate

Systemtic Name: [(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-7-(1-hydroxyethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] ethanoate Openeye Name: [(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-7-(1-hydroxyethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] acetate CAS Name: acetic acid [(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-7-(1-hydroxyethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] ester IUPAC Name: [(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-7-(1-hydroxyethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] acetate Traditional Name: acetic acid [(2S,4aR,4bS,7S,8S,8aR)-8-(cyanomethyl)-7-(1-hydroxyethyl)-4a,7-dimethyl-1,2,3,4,4b,5,6,8,8a,9-decahydrophenanthren-2-yl] ester Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCC2C(C1CC#N)CC=C3C2(CCC(C3)OC(=O)C)C)C)O

Isomeric SMILES

CC([C@]1(CC[C@H]2[C@H]([C@@H]1CC#N)CC=C3[C@@]2(CC[C@@H](C3)OC(=O)C)C)C)O

InChI

InChI=1S/C22H33NO3/c1-14(24)21(3)11-8-19-18(20(21)9-12-23)6-5-16-13-17(26-15(2)25)7-10-22(16,19)4/h5,14,17-20,24H,6-11,13H2,1-4H3/t14?,17-,18+,19-,20-,21+,22-/m0/s1