[10,13-dimethyl-3-oxidanylidene-11-propanoyloxy-17-(2-sulfanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate

Systemtic Name: [10,13-dimethyl-3-oxidanylidene-11-propanoyloxy-17-(2-sulfanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate Openeye Name: [10,13-dimethyl-3-oxo-11-propanoyloxy-17-(2-sulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate CAS Name: butanoic acid [17-(2-mercapto-1-oxoethyl)-10,13-dimethyl-3-oxo-11-(1-oxopropoxy)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [10,13-dimethyl-3-oxo-11-propanoyloxy-17-(2-sulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate Traditional Name: butyric acid [3-keto-17-(2-mercaptoacetyl)-10,13-dimethyl-11-propionyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C28H40O6S MolecularWeight: 504.6786

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)OC(=O)CC)C)C(=O)CS

Isomeric SMILES

CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)OC(=O)CC)C)C(=O)CS

InChI

InChI=1S/C28H40O6S/c1-5-7-24(32)34-28(22(30)16-35)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(15-27(20,28)4)33-23(31)6-2/h14,19-21,25,35H,5-13,15-16H2,1-4H3