1.0 2010-04-08 22:08:13 UTC 2018-05-28 22:22:18 UTC FDB008719 (9Z,9'Z)-Methylbixin Constituent of Bixa orellana (annatto). (9Z,9'Z)-6-Methylbixin (9Z,9'Z)-Methylbixin cis,cis-Methylbixin C26H32O4 408.5299 408.230059512 1,20-dimethyl (2E,4Z,6E,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate 1,20-dimethyl (2E,4Z,6E,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate 201996-34-1 COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C(=O)OC InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15-,24-16- UNTSJRBZLAUZBX-IUMINJKLSA-N belongs to the class of organic compounds known as acyclic diterpenoids. These are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Acyclic diterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aliphatic acyclic compounds Carbonyl compounds Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Methyl esters Organic oxides Acyclic diterpenoid Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Methyl ester Organic oxide Organic oxygen compound Organooxygen compound logp 6.29 ALOGPS logs -5.63 ALOGPS solubility 9.63e-04 g/l ALOGPS logp 5.91 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac 1,20-dimethyl (2E,4Z,6E,8E,10E,12E,14E,16Z,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioate ChemAxon average_mass 408.5299 ChemAxon mono_mass 408.230059512 ChemAxon smiles COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C(=O)OC ChemAxon formula C26H32O4 ChemAxon inchi InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15-,24-16- ChemAxon inchikey UNTSJRBZLAUZBX-IUMINJKLSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 133.82 ChemAxon polarizability 48.33 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55761 Specdb::MsMs 55762 Specdb::MsMs 55763 Specdb::MsMs 110988 Specdb::MsMs 110989 Specdb::MsMs 110990 Specdb::MsMs 3604759 Specdb::MsMs 3604760 Specdb::MsMs 3604761 Specdb::MsMs 3604762 Specdb::MsMs 3604763 Specdb::MsMs 3604764