sodium [(13S,14S)-13-methyl-17-oxidanylidene-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate

Systemtic Name: sodium [(13S,14S)-13-methyl-17-oxidanylidene-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate Openeye Name: sodium [(13S,14S)-13-methyl-17-oxo-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate CAS Name: sodium [(13S,14S)-13-methyl-17-oxo-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate IUPAC Name: sodium [(13S,14S)-13-methyl-17-oxo-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate Traditional Name: sodium [(13S,14S)-17-keto-13-methyl-7,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate Formula: C18H19NaO5S MolecularWeight: 370.39523

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C[C@]12CCC3=C([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t16-,18-;/m0./s1