1.0 2010-04-08 22:05:40 UTC 2019-11-26 02:58:30 UTC FDB003121 Glycerol 1,3-di-(9Z-octadecenoate) 2-(9Z,12Z-octadecadienoate) Minor component of sunflower and other vegetable oils. Glycerol 1,3-di-(9Z-octadecenoate) 2-(9Z,12Z-octadecadienoate) is found in fats and oils. 9,12-Octadecadienoic acid 2-[(1-oxo-9-octadecenyl)oxy]-1-[[(1-oxo-9-octadecenyl)oxy]methyl]ethyl ester a,a'-Dioleolinolein Glycerol 2-(9Z,12Z-octadecadienoate) 1,3-di-(9Z-octadecenoate) C57H102O6 883.4162 882.767640996 1,3-bis[(9E)-octadec-9-enoyloxy]propan-2-yl (9E,12E)-octadeca-9,12-dienoate 1,3-bis[(9E)-octadec-9-enoyloxy]propan-2-yl (9E,12E)-octadeca-9,12-dienoate 2190-19-4 CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,54H,4-17,19-20,22-24,31-53H2,1-3H3/b21-18+,28-25+,29-26+,30-27+ UBFOEWXGSAZLKS-UEXXDPPDSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Triacylglycerols Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Lineolic acids and derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 10.78 ALOGPS logs -8.14 ALOGPS solubility 6.42e-06 g/l ALOGPS logp 20.14 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(9E)-octadec-9-enoyloxy]propan-2-yl (9E,12E)-octadeca-9,12-dienoate ChemAxon average_mass 883.4162 ChemAxon mono_mass 882.767640996 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C\CCCCCCCC)OC(=O)CCCCCCC\C=C\C\C=C\CCCCC ChemAxon formula C57H102O6 ChemAxon inchi InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h18,21,25-30,54H,4-17,19-20,22-24,31-53H2,1-3H3/b21-18+,28-25+,29-26+,30-27+ ChemAxon inchikey UBFOEWXGSAZLKS-UEXXDPPDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 273.36 ChemAxon polarizability 116.77 ChemAxon rotatable_bond_count 52 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 627148 Specdb::MsMs 627149 Specdb::MsMs 627150 Specdb::MsMs 2343692 Specdb::MsMs 2343693 Specdb::MsMs 2343694 Specdb::MsMs 2393050 Specdb::MsMs 2393051 Specdb::MsMs 2393052 Specdb::MsMs 2595247 Specdb::MsMs 2595248 Specdb::MsMs 2595249 Specdb::MsMs 2621801 Specdb::MsMs 2621802 Specdb::MsMs 2621803 Specdb::MsMs 2721912 Specdb::MsMs 2721913 Specdb::MsMs 2721914 HMDB31113 #<Reference:0x000055ce32137cd8> Fats and oils Unknown generic