S-[17-(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] benzenecarbothioate

Systemtic Name: S-[17-(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] benzenecarbothioate Openeye Name: S-[17-(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] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[17-(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: S-[17-(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] benzenecarbothioate Traditional Name: thiobenzoic acid S-[17-(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 Formula: C28H40O2S MolecularWeight: 440.681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)SC(=O)C5=CC=CC=C5)C)C)O

Isomeric SMILES

CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)SC(=O)C5=CC=CC=C5)C)C)O

InChI

InChI=1S/C28H40O2S/c1-18(29)23-11-12-24-22-10-9-20-17-21(31-26(30)19-7-5-4-6-8-19)13-15-27(20,2)25(22)14-16-28(23,24)3/h4-8,18,20-25,29H,9-17H2,1-3H3