1.0 2010-04-08 22:08:11 UTC 2018-05-28 22:21:52 UTC FDB008669 Methyl (9Z)-10'-oxo-6,10'-diapo-6-carotenoate Constituent of Bixa orellana (annatto). Apo-10'-bixinal Methyl (9Z)-10'-oxo-6,10'-diapo-6-carotenoate Methyl-(9Z)-10'-oxo-6,10'-diapocarotene-6-oate C20H24O3 312.4028 312.172544634 methyl (2E,4Z,6E,8E,10E,12E,14E)-4,8,13-trimethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate methyl (2E,4Z,6E,8E,10E,12E,14E)-4,8,13-trimethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate 201996-43-2 COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=O InChI=1S/C20H24O3/c1-17(9-5-6-10-18(2)13-8-16-21)11-7-12-19(3)14-15-20(22)23-4/h5-16H,1-4H3/b6-5+,11-7+,13-8+,15-14+,17-9+,18-10+,19-12- NXZZZYUALZNGOO-OKMAZBOSSA-N belongs to the class of organic compounds known as fatty aldehydes. These are long chain aldehydes with a chain of at least 12 carbon atoms. Fatty aldehydes Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty aldehydes Aliphatic acyclic compounds Acyclic monoterpenoids Aldehydes Enals Enoate esters Fatty acid esters Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Acyclic monoterpenoid 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 aldehyde Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 5.09 ALOGPS logs -4.78 ALOGPS solubility 5.20e-03 g/l ALOGPS logp 4.07 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac methyl (2E,4Z,6E,8E,10E,12E,14E)-4,8,13-trimethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoate ChemAxon average_mass 312.4028 ChemAxon mono_mass 312.172544634 ChemAxon smiles COC(=O)\C=C\C(\C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=O ChemAxon formula C20H24O3 ChemAxon inchi InChI=1S/C20H24O3/c1-17(9-5-6-10-18(2)13-8-16-21)11-7-12-19(3)14-15-20(22)23-4/h5-16H,1-4H3/b6-5+,11-7+,13-8+,15-14+,17-9+,18-10+,19-12- ChemAxon inchikey NXZZZYUALZNGOO-OKMAZBOSSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 103.21 ChemAxon polarizability 37.49 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26292 Specdb::CMs 146492 Specdb::MsMs 52149 Specdb::MsMs 52150 Specdb::MsMs 52151 Specdb::MsMs 119715 Specdb::MsMs 119716 Specdb::MsMs 119717 Specdb::MsMs 3045139 Specdb::MsMs 3045140 Specdb::MsMs 3045141 Specdb::MsMs 3095011 Specdb::MsMs 3095012 Specdb::MsMs 3095013 HMDB31976 #<Reference:0x000055ce315bd920>