(13-methyl-6-oxidanyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate

Systemtic Name: (13-methyl-6-oxidanyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate Openeye Name: (6-hydroxy-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate CAS Name: sulfuric acid (6-hydroxy-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (6-hydroxy-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate Traditional Name: sulfuric acid (6-hydroxy-17-keto-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C4C=CC(=CC4=C(C=C3C1CCC2=O)O)OS(=O)(=O)O

Isomeric SMILES

CC12CCC3=C4C=CC(=CC4=C(C=C3C1CCC2=O)O)OS(=O)(=O)O

InChI

InChI=1S/C18H18O6S/c1-18-7-6-12-11-3-2-10(24-25(21,22)23)8-14(11)16(19)9-13(12)15(18)4-5-17(18)20/h2-3,8-9,15,19H,4-7H2,1H3,(H,21,22,23)