[(8S,9S,10R,11R,13S,14S,17R)-10,13-dimethyl-17-(2-methylsulfonyloxyethanoyl)-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,11R,13S,14S,17R)-10,13-dimethyl-17-(2-methylsulfonyloxyethanoyl)-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,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-(2-methylsulfonyloxyacetyl)-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,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-(2-methylsulfonyloxy-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,11R,13S,14S,17R)-11-hydroxy-10,13-dimethyl-17-(2-methylsulfonyloxyacetyl)-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,11R,13S,14S,17R)-11-hydroxy-3-keto-10,13-dimethyl-17-(2-methylsulfonyloxyacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C26H38O8S MolecularWeight: 510.64012

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Descriptors Computed from Structure

Canonical SMILES:

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

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)COS(=O)(=O)C

InChI

InChI=1S/C26H38O8S/c1-5-6-22(30)34-26(21(29)15-33-35(4,31)32)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