1-(3-ethynyl-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-(1-hydroxyethylsulfanyl)ethanone

Systemtic Name: 1-(3-ethynyl-10,13-dimethyl-3-oxidanyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-(1-hydroxyethylsulfanyl)ethanone Openeye Name: 1-(3-ethynyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-(1-hydroxyethylsulfanyl)ethanone CAS Name: 1-(3-ethynyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-(1-hydroxyethylthio)ethanone IUPAC Name: 1-(3-ethynyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-(1-hydroxyethylsulfanyl)ethanone Traditional Name: 1-(3-ethynyl-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)-2-(1-hydroxyethylthio)ethanone Formula: C25H38O3S MolecularWeight: 418.63242

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Descriptors Computed from Structure

Canonical SMILES:

CC(O)SCC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(C#C)O)C)C

Isomeric SMILES

CC(O)SCC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)(C#C)O)C)C

InChI

InChI=1S/C25H38O3S/c1-5-25(28)13-12-23(3)17(14-25)6-7-18-19-8-9-21(22(27)15-29-16(2)26)24(19,4)11-10-20(18)23/h1,16-21,26,28H,6-15H2,2-4H3