potassium 3-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-9,14,15,16-tetrahydro-8H-cyclopenta[a]phenanthren-17-yl)propanoate

Systemtic Name: potassium 3-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-9,14,15,16-tetrahydro-8H-cyclopenta[a]phenanthren-17-yl)propanoate Openeye Name: potassium 3-(17-hydroxy-10,13-dimethyl-3-oxo-9,14,15,16-tetrahydro-8H-cyclopenta[a]phenanthren-17-yl)propanoate CAS Name: potassium 3-(17-hydroxy-10,13-dimethyl-3-oxo-9,14,15,16-tetrahydro-8H-cyclopenta[a]phenanthren-17-yl)propanoate IUPAC Name: potassium 3-(17-hydroxy-10,13-dimethyl-3-oxo-9,14,15,16-tetrahydro-8H-cyclopenta[a]phenanthren-17-yl)propanoate Traditional Name: potassium 3-(17-hydroxy-3-keto-10,13-dimethyl-9,14,15,16-tetrahydro-8H-cyclopenta[a]phenanthren-17-yl)propionate Formula: C22H25KO4 MolecularWeight: 392.5298

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Descriptors Computed from Structure

Canonical SMILES:

CC12C=CC3C(C1CCC2(CCC(=O)[O-])O)C=CC4=CC(=O)C=CC34C.[K+]

Isomeric SMILES

CC12C=CC3C(C1CCC2(CCC(=O)[O-])O)C=CC4=CC(=O)C=CC34C.[K+]

InChI

InChI=1S/C22H26O4.K/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21,26)12-8-19(24)25;/h3-6,9-10,13,16-18,26H,7-8,11-12H2,1-2H3,(H,24,25);/q;+1/p-1