1.0 2010-04-08 22:08:11 UTC 2018-05-28 22:21:54 UTC FDB008672 Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate Constituent of Bixa orellana (annatto). Apo-8'-bixinal Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate C23H28O3 352.4666 352.203844762 methyl (2E,4Z,6E,8E,10E,12E,14E,16E)-4,8,13,17-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoate methyl (2E,4Z,6E,8E,10E,12E,14E,16E)-4,8,13,17-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoate 101034-51-9 COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)C=O InChI=1S/C23H28O3/c1-19(12-8-14-21(3)16-17-23(25)26-5)10-6-7-11-20(2)13-9-15-22(4)18-24/h6-18H,1-5H3/b7-6+,12-8+,13-9+,17-16+,19-10+,20-11+,21-14-,22-15+ JMFNGSBVJBPGQR-IWRWKHRWSA-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 Aldehydes Enals Enoate esters Fatty acid esters Fatty aldehydes Hydrocarbon derivatives Lineolic acids and derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Acyclic diterpenoid Aldehyde Aliphatic acyclic compound Alpha,beta-unsaturated aldehyde Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enal Enoate ester Fatty acid ester Fatty acyl Fatty aldehyde Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound logp 5.80 ALOGPS logs -5.16 ALOGPS solubility 2.44e-03 g/l ALOGPS logp 5 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac methyl (2E,4Z,6E,8E,10E,12E,14E,16E)-4,8,13,17-tetramethyl-18-oxooctadeca-2,4,6,8,10,12,14,16-octaenoate ChemAxon average_mass 352.4666 ChemAxon mono_mass 352.203844762 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=O ChemAxon formula C23H28O3 ChemAxon inchi InChI=1S/C23H28O3/c1-19(12-8-14-21(3)16-17-23(25)26-5)10-6-7-11-20(2)13-9-15-22(4)18-24/h6-18H,1-5H3/b7-6+,12-8+,13-9+,17-16+,19-10+,20-11+,21-14-,22-15+ ChemAxon inchikey JMFNGSBVJBPGQR-IWRWKHRWSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 117.88 ChemAxon polarizability 43.15 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12269 Specdb::CMs 133570 Specdb::CMs 141304 Specdb::MsMs 74712 Specdb::MsMs 74713 Specdb::MsMs 74714 Specdb::MsMs 134175 Specdb::MsMs 134176 Specdb::MsMs 134177 Specdb::MsMs 2759672 Specdb::MsMs 2759673 Specdb::MsMs 2759674 Specdb::MsMs 2949882 Specdb::MsMs 2949883 Specdb::MsMs 2949884 HMDB31979 #<Reference:0x000055ce320f7070>