[17-(5-ethylsulfanyl-5-oxidanylidene-pentan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [17-(5-ethylsulfanyl-5-oxidanylidene-pentan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [17-(4-ethylsulfanyl-1-methyl-4-oxo-butyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [17-[5-(ethylthio)-5-oxopentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [17-(5-ethylsulfanyl-5-oxopentan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [17-[4-(ethylthio)-4-keto-1-methyl-butyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C28H44O3S MolecularWeight: 460.71216

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

Isomeric SMILES

CCSC(=O)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C

InChI

InChI=1S/C28H44O3S/c1-6-32-26(30)12-7-18(2)23-10-11-24-22-9-8-20-17-21(31-19(3)29)13-15-27(20,4)25(22)14-16-28(23,24)5/h8,18,21-25H,6-7,9-17H2,1-5H3