1.0 2011-03-17 23:25:46 UTC 2019-11-26 03:20:40 UTC FDB021656 beta-Crocetin (all-e)-crocetin, also known as trans-crocetin, is a member of the class of compounds known as acyclic diterpenoids. Acyclic diterpenoids are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle (all-e)-crocetin is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (all-e)-crocetin can be found in herbs and spices, which makes (all-e)-crocetin a potential biomarker for the consumption of this food product. b-Crocetin beta-Crocetin Crocetin; (all-E)-form, Mono-Me ester C20H24O4 328.4022 328.167459256 (2E,4E,6E,8E,10E,12E,14E)-16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid (2E,4E,6E,8E,10E,12E,14E)-16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid 25368-09-6 C\C(\C=C\C=C(/C)C(O)=O)=C\C=C\C=C(/C)\C=C\C=C(\C)C(O)=O InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9-,16-10+,17-13+,18-14- PANKHBYNKQNAHN-AWVVJTJESA-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 Carboxylic acids Dicarboxylic acids and derivatives Enoate esters Fatty acid esters Hydrocarbon derivatives Long-chain fatty acids Methyl esters Methyl-branched fatty acids Organic oxides Unsaturated fatty acids Acyclic diterpenoid Aliphatic acyclic compound Alpha,beta-unsaturated carboxylic ester Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Fatty acid ester Fatty acyl Hydrocarbon derivative Long-chain fatty acid Methyl ester Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound Unsaturated fatty acid melting_point Mp 218? logp 4.78 ChemAxon pka_strongest_acidic 4.95 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac (2E,4E,6E,8E,10E,12E,14E)-16-methoxy-2,6,11,15-tetramethyl-16-oxohexadeca-2,4,6,8,10,12,14-heptaenoic acid ChemAxon average_mass 328.4022 ChemAxon mono_mass 328.167459256 ChemAxon smiles C\C(\C=C\C=C(/C)C(O)=O)=C\C=C\C=C(/C)\C=C\C=C(\C)C(O)=O ChemAxon formula C20H24O4 ChemAxon inchi InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9-,16-10+,17-13+,18-14- ChemAxon inchikey PANKHBYNKQNAHN-AWVVJTJESA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 108.57 ChemAxon polarizability 40.34 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Saffron Type 1 specific Crocus sativus 82528