4-[10,13-dimethyl-16,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[10,13-dimethyl-16,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-3-oxidanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-4-oxo-butanoic acid CAS Name: 4-(16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-4-oxobutanoic acid IUPAC Name: 4-(16,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-4-oxobutanoic acid Traditional Name: 4-(16,17-dihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)-3-hydroxy-4-keto-butyric acid Formula: C23H28O7 MolecularWeight: 416.46422

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1=CC(C2(C(=O)C(CC(=O)O)O)O)O)CCC4=CC(=O)C=CC34C

Isomeric SMILES

CC12CCC3C(C1=CC(C2(C(=O)C(CC(=O)O)O)O)O)CCC4=CC(=O)C=CC34C

InChI

InChI=1S/C23H28O7/c1-21-7-5-13(24)9-12(21)3-4-14-15(21)6-8-22(2)16(14)10-18(26)23(22,30)20(29)17(25)11-19(27)28/h5,7,9-10,14-15,17-18,25-26,30H,3-4,6,8,11H2,1-2H3,(H,27,28)