3-[2-[2,3-dicarboxy-4-(5-methyl-2-oxidanyl-4-oxidanylidene-hex-5-enyl)-3-bicyclo[2.2.1]hept-5-enyl]propyl]-4-(5-methyl-2-oxidanyl-4-oxidanylidene-hex-5-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

Systemtic Name: 3-[2-[2,3-dicarboxy-4-(5-methyl-2-oxidanyl-4-oxidanylidene-hex-5-enyl)-3-bicyclo[2.2.1]hept-5-enyl]propyl]-4-(5-methyl-2-oxidanyl-4-oxidanylidene-hex-5-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid Openeye Name: 3-[2-[2,3-dicarboxy-4-(2-hydroxy-5-methyl-4-oxo-hex-5-enyl)-3-bicyclo[2.2.1]hept-5-enyl]propyl]-4-(2-hydroxy-5-methyl-4-oxo-hex-5-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid CAS Name: 3-[2-[2,3-dicarboxy-4-(2-hydroxy-5-methyl-4-oxohex-5-enyl)-3-bicyclo[2.2.1]hept-5-enyl]propyl]-4-(2-hydroxy-5-methyl-4-oxohex-5-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid IUPAC Name: 3-[2-[2,3-dicarboxy-4-(2-hydroxy-5-methyl-4-oxohex-5-enyl)-3-bicyclo[2.2.1]hept-5-enyl]propyl]-4-(2-hydroxy-5-methyl-4-oxohex-5-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid Traditional Name: 3-[2-[2,3-dicarboxy-4-(2-hydroxy-4-keto-5-methyl-hex-5-enyl)-3-bicyclo[2.2.1]hept-5-enyl]propyl]-4-(2-hydroxy-4-keto-5-methyl-hex-5-enyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid Formula: C35H44O12 MolecularWeight: 656.71666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1(C(C2CC1(C=C2)CC(CC(=O)C(=C)C)O)C(=O)O)C(=O)O)C3(C(C4CC3(C=C4)CC(CC(=O)C(=C)C)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(CC1(C(C2CC1(C=C2)CC(CC(=O)C(=C)C)O)C(=O)O)C(=O)O)C3(C(C4CC3(C=C4)CC(CC(=O)C(=C)C)O)C(=O)O)C(=O)O

InChI

InChI=1S/C35H44O12/c1-17(2)24(38)10-22(36)15-32-8-6-20(13-32)26(28(40)41)34(32,30(44)45)12-19(5)35(31(46)47)27(29(42)43)21-7-9-33(35,14-21)16-23(37)11-25(39)18(3)4/h6-9,19-23,26-27,36-37H,1,3,10-16H2,2,4-5H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)