1.0 2010-04-08 22:08:11 UTC 2018-05-28 22:21:52 UTC FDB008670 Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate Constituent of Bixa orellana (annatto). Methyl (9Z)-6'-oxo-6,5'-diapo-6-carotenoate Methyl (9Z)-6'-oxo-6,5'-diapocaroten-6-oate C26H32O3 392.5305 392.23514489 methyl (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-20-oxohenicosa-2,4,6,8,10,12,14,16,18-nonaenoate methyl (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-20-oxohenicosa-2,4,6,8,10,12,14,16,18-nonaenoate 201996-49-8 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(C)=O InChI=1S/C26H32O3/c1-21(13-9-15-23(3)17-19-25(5)27)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)29-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15+,24-16- QJUIMMSGBIDDCA-XXTRIWPXSA-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 Acryloyl compounds Enoate esters Enones Fatty acid esters Hydrocarbon derivatives Ketones Methyl esters Monocarboxylic acids and derivatives Organic oxides Acryloyl-group Acyclic diterpenoid Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Alpha,beta-unsaturated ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Enoate ester Enone Fatty acid ester Fatty acyl Hydrocarbon derivative Ketone Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 6.29 ALOGPS logs -5.50 ALOGPS solubility 1.25e-03 g/l ALOGPS logp 5.86 ChemAxon pka_strongest_acidic 19.71 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac methyl (2E,4Z,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethyl-20-oxohenicosa-2,4,6,8,10,12,14,16,18-nonaenoate ChemAxon average_mass 392.5305 ChemAxon mono_mass 392.23514489 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(C)=O ChemAxon formula C26H32O3 ChemAxon inchi InChI=1S/C26H32O3/c1-21(13-9-15-23(3)17-19-25(5)27)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)29-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15+,24-16- ChemAxon inchikey QJUIMMSGBIDDCA-XXTRIWPXSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 132.6 ChemAxon polarizability 49.01 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17208 Specdb::CMs 165712 Specdb::MsMs 87894 Specdb::MsMs 87895 Specdb::MsMs 87896 Specdb::MsMs 150504 Specdb::MsMs 150505 Specdb::MsMs 150506 Specdb::MsMs 2381789 Specdb::MsMs 2381790 Specdb::MsMs 2381791 Specdb::MsMs 2580993 Specdb::MsMs 2580994 Specdb::MsMs 2580995 HMDB31977 #<Reference:0x00007f093c151ed0>