[(3S,7R,10R,13S,17S)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Systemtic Name: [(3S,7R,10R,13S,17S)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate Openeye Name: [(3S,7R,10R,13S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate CAS Name: sulfuric acid [(3S,7R,10R,13S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(3S,7R,10R,13S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] hydrogen sulfate Traditional Name: sulfuric acid [(3S,7R,10R,13S,17S)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] ester Formula: C19H30O6S MolecularWeight: 386.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OS(=O)(=O)O)C(C=C4C3(CCC(C4)O)C)O

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2OS(=O)(=O)O)[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)O

InChI

InChI=1S/C19H30O6S/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(25-26(22,23)24)19(13,2)8-6-14(17)18/h10,12-17,20-21H,3-9H2,1-2H3,(H,22,23,24)/t12-,13?,14?,15-,16-,17?,18-,19-/m0/s1