1.0 2010-04-08 22:08:16 UTC 2019-11-26 03:03:17 UTC FDB008826 1,2-Anhydridoniveusin Constituent of Helianthus annuus (sunflower). 1,2-Anhydridoniveusin is found in sunflower and fats and oils. 1,2-Anhydridoniveusin C20H24O7 376.4004 376.152203122 (2E)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,12-dien-9-yl (2E)-2-methylbut-2-enoate (2E)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,12-dien-9-yl (2E)-2-methylbut-2-enoate 121519-08-2 C\C=C(/C)C(=O)OC1CC2(C)OC(O)(C=C2)\C(CO)=C\C2OC(=O)C(=C)C12 InChI=1S/C20H24O7/c1-5-11(2)17(22)26-15-9-19(4)6-7-20(24,27-19)13(10-21)8-14-16(15)12(3)18(23)25-14/h5-8,14-16,21,24H,3,9-10H2,1-2,4H3/b11-5+,13-8+ ZXQIVEHVNKQIIU-PZLJUMJASA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic heteropolycyclic compounds Carbonyl compounds Dicarboxylic acids and derivatives Dihydrofurans Enoate esters Gamma butyrolactones Hemiacetals Hydrocarbon derivatives Organic oxides Oxacyclic compounds Primary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Dihydrofuran Enoate ester Fatty acid ester Gamma butyrolactone Hemiacetal Hydrocarbon derivative Lactone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Primary alcohol Tetrahydrofuran logp 0.92 ALOGPS logs -2.73 ALOGPS solubility 7.06e-01 g/l ALOGPS logp 2.03 ChemAxon pka_strongest_acidic 6.2 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (2E)-1-hydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradeca-2,12-dien-9-yl (2E)-2-methylbut-2-enoate ChemAxon average_mass 376.4004 ChemAxon mono_mass 376.152203122 ChemAxon smiles C\C=C(/C)C(=O)OC1CC2(C)OC(O)(C=C2)\C(CO)=C\C2OC(=O)C(=C)C12 ChemAxon formula C20H24O7 ChemAxon inchi InChI=1S/C20H24O7/c1-5-11(2)17(22)26-15-9-19(4)6-7-20(24,27-19)13(10-21)8-14-16(15)12(3)18(23)25-14/h5-8,14-16,21,24H,3,9-10H2,1-2,4H3/b11-5+,13-8+ ChemAxon inchikey ZXQIVEHVNKQIIU-PZLJUMJASA-N ChemAxon polar_surface_area 102.29 ChemAxon refractivity 98.27 ChemAxon polarizability 37.59 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17217 Specdb::CMs 42747 Specdb::CMs 136480 Specdb::CMs 144214 Specdb::MsMs 304087 Specdb::MsMs 304088 Specdb::MsMs 304089 Specdb::MsMs 347200 Specdb::MsMs 347201 Specdb::MsMs 347202 Specdb::MsMs 2431528 Specdb::MsMs 2431529 Specdb::MsMs 2431530 Specdb::MsMs 2508124 Specdb::MsMs 2508125 Specdb::MsMs 2508126 HMDB32105 #<Reference:0x000055ce31dec510> Fats and oils Unknown generic Sunflower Type 1 specific Helianthus annuus 4232 22.8 22.8 22.8 mg/100 g