3-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-5,6,7,8,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)propanoic acid

Systemtic Name: 3-(10,13-dimethyl-17-oxidanyl-3-oxidanylidene-5,6,7,8,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)propanoic acid Openeye Name: 3-(17-hydroxy-10,13-dimethyl-3-oxo-5,6,7,8,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)propanoic acid CAS Name: 3-(17-hydroxy-10,13-dimethyl-3-oxo-5,6,7,8,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)propanoic acid IUPAC Name: 3-(17-hydroxy-10,13-dimethyl-3-oxo-5,6,7,8,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)propanoic acid Traditional Name: 3-(17-hydroxy-3-keto-10,13-dimethyl-5,6,7,8,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)propionic acid Formula: C22H30O4 MolecularWeight: 358.4712

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC=C3C(C1CCC2(CCC(=O)O)O)CCC4C3(C=CC(=O)C4)C

Isomeric SMILES

CC12CC=C3C(C1CCC2(CCC(=O)O)O)CCC4C3(C=CC(=O)C4)C

InChI

InChI=1S/C22H30O4/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/h5-6,9,14,16,18,26H,3-4,7-8,10-13H2,1-2H3,(H,24,25)