1.0 2010-04-08 22:10:52 UTC 2019-11-26 03:08:57 UTC FDB013728 gamma-Crocetin Isolated from saffron. gamma-Crocetin is found in saffron and herbs and spices. 8,8'-Diapo-psi,psi-carotenedioic acid dimethyl ester Crocetine dimethyl ester g-Crocetin C22H28O4 356.4553 356.198759384 1,16-dimethyl (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 1,16-dimethyl (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate 5892-54-6 COC(=O)C(\C)=C/C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11-,18-12+,19-15+,20-16- OXNHRKGZZFWUQZ-KYBHHSLLSA-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 5.49 ALOGPS logs -5.20 ALOGPS solubility 2.24e-03 g/l ALOGPS melting_point Mp 222-225° logp 5.16 ChemAxon pka_strongest_basic -6.5 ChemAxon iupac 1,16-dimethyl (2Z,4E,6E,8E,10Z,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate ChemAxon average_mass 356.4553 ChemAxon mono_mass 356.198759384 ChemAxon smiles COC(=O)C(\C)=C/C=C/C(/C)=C/C=C/C=C(/C)\C=C\C=C(/C)C(=O)OC ChemAxon formula C22H28O4 ChemAxon inchi InChI=1S/C22H28O4/c1-17(13-9-15-19(3)21(23)25-5)11-7-8-12-18(2)14-10-16-20(4)22(24)26-6/h7-16H,1-6H3/b8-7+,13-9+,14-10+,17-11-,18-12+,19-15+,20-16- ChemAxon inchikey OXNHRKGZZFWUQZ-KYBHHSLLSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 113.34 ChemAxon polarizability 42.59 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21977 Specdb::CMs 161166 Specdb::MsMs 51456 Specdb::MsMs 51457 Specdb::MsMs 51458 Specdb::MsMs 148296 Specdb::MsMs 148297 Specdb::MsMs 148298 Specdb::MsMs 3046297 Specdb::MsMs 3046298 Specdb::MsMs 3046299 Specdb::MsMs 3094300 Specdb::MsMs 3094301 Specdb::MsMs 3094302 HMDB35099 #<Reference:0x000055ce318ee9a0> Herbs and Spices Unknown generic Saffron Type 1 specific Crocus sativus 82528