4-(10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-hydroxy-4-(11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-4-oxo-butanoic acid CAS Name: 3-hydroxy-4-(11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-4-oxobutanoic acid IUPAC Name: 3-hydroxy-4-(11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-4-oxobutanoic acid Traditional Name: 3-hydroxy-4-(11-hydroxy-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl)-4-keto-butyric acid Formula: C23H28O6 MolecularWeight: 400.46482

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CC=C2C(=O)C(CC(=O)O)O)CCC4=CC(=O)C=CC34C)O

Isomeric SMILES

CC12CC(C3C(C1CC=C2C(=O)C(CC(=O)O)O)CCC4=CC(=O)C=CC34C)O

InChI

InChI=1S/C23H28O6/c1-22-8-7-13(24)9-12(22)3-4-14-15-5-6-16(21(29)17(25)10-19(27)28)23(15,2)11-18(26)20(14)22/h6-9,14-15,17-18,20,25-26H,3-5,10-11H2,1-2H3,(H,27,28)