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

Systemtic Name: [(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-17-(2-methylsulfanylethanoyl)-11-oxidanyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate Openeye Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-(2-methylsulfanylacetyl)-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate CAS Name: butanoic acid [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-[2-(methylthio)-1-oxoethyl]-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-(2-methylsulfanylacetyl)-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] butanoate Traditional Name: butyric acid [(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-3-keto-10,13-dimethyl-17-[2-(methylthio)acetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C26H38O5S MolecularWeight: 462.64192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CSC

Isomeric SMILES

CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CSC

InChI

InChI=1S/C26H38O5S/c1-5-6-22(30)31-26(21(29)15-32-4)12-10-19-18-8-7-16-13-17(27)9-11-24(16,2)23(18)20(28)14-25(19,26)3/h13,18-20,23,28H,5-12,14-15H2,1-4H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1