[(8R,9S,13S,14S,17R)-13-methyl-17-oxidanyl-16-oxidanylidene-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Systemtic Name: [(8R,9S,13S,14S,17R)-13-methyl-17-oxidanyl-16-oxidanylidene-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate Openeye Name: [(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate CAS Name: sulfuric acid [(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-16-oxo-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [(8R,9S,13S,14S,17R)-17-hydroxy-16-keto-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester Formula: C18H22O6S MolecularWeight: 366.42868

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC(=O)C2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)[C@@H]2O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

InChI

InChI=1S/C18H22O6S/c1-18-7-6-13-12-5-3-11(24-25(21,22)23)8-10(12)2-4-14(13)15(18)9-16(19)17(18)20/h3,5,8,13-15,17,20H,2,4,6-7,9H2,1H3,(H,21,22,23)/t13-,14-,15+,17+,18+/m1/s1