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

Systemtic Name: 8-[10,13-dimethyl-11,16,17-tris(oxidanyl)-3-oxidanylidene-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-7-oxidanyl-8-oxidanylidene-octanoic acid Openeye Name: 7-hydroxy-8-oxo-8-(11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)octanoic acid CAS Name: 7-hydroxy-8-oxo-8-(11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)octanoic acid IUPAC Name: 7-hydroxy-8-oxo-8-(11,16,17-trihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)octanoic acid Traditional Name: 7-hydroxy-8-keto-8-(11,16,17-trihydroxy-3-keto-10,13-dimethyl-7,8,9,11,12,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl)caprylic acid Formula: C27H36O8 MolecularWeight: 488.56994

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1=CC(C2(C(=O)C(CCCCCC(=O)O)O)O)O)CCC4=CC(=O)C=CC34C)O

Isomeric SMILES

CC12CC(C3C(C1=CC(C2(C(=O)C(CCCCCC(=O)O)O)O)O)CCC4=CC(=O)C=CC34C)O

InChI

InChI=1S/C27H36O8/c1-25-11-10-16(28)12-15(25)8-9-17-18-13-21(31)27(35,26(18,2)14-20(30)23(17)25)24(34)19(29)6-4-3-5-7-22(32)33/h10-13,17,19-21,23,29-31,35H,3-9,14H2,1-2H3,(H,32,33)