1.02010-04-08 22:05:36 UTC2019-11-26 02:58:14 UTCFDB002957Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate)Constituent of cocoa butter. Glycerol 1,3-dihexadecanoate 2-(9Z-octadecenoate) is found in cocoa and cocoa products and fats and oils.2-Oleodipalmitina,a'-DipalmitooleinC53H100O6833.3575832.7519909321,3-bis(hexadecanoyloxy)propan-2-yl (9E)-octadec-9-enoate1,3-bis(hexadecanoyloxy)propan-2-yl (9E)-octadec-9-enoate2190-25-2CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCCInChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25+FDCOHGHEADZEGF-OCEACIFDSA-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.TriacylglycerolsOrganic compoundsLipids and lipid-like moleculesGlycerolipidsTriradylcglycerolsAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesOrganic oxidesTricarboxylic acids and derivativesAliphatic acyclic compoundCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundTriacyl-sn-glycerolTricarboxylic acid or derivativeslogp10.68logs-7.89solubility1.09e-05 g/lmelting_pointMp 37.2°logp19.45pka_strongest_basic-6.6iupac1,3-bis(hexadecanoyloxy)propan-2-yl (9E)-octadec-9-enoateaverage_mass833.3575mono_mass832.751990932smilesCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C\CCCCCCCCformulaC53H100O6inchiInChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-53(56)59-50(48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)49-58-52(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,50H,4-24,27-49H2,1-3H3/b26-25+inchikeyFDCOHGHEADZEGF-OCEACIFDSA-Npolar_surface_area78.9refractivity251.61polarizability112.5rotatable_bond_count51acceptor_count3donor_count0physiological_charge0formal_charge0Specdb::MsMs640897Specdb::MsMs640898Specdb::MsMs640899Specdb::MsMs2311634Specdb::MsMs2311635Specdb::MsMs2311636Specdb::MsMs2623010Specdb::MsMs2623011Specdb::MsMs2623012Specdb::MsMs2672183Specdb::MsMs2672184Specdb::MsMs2672185Specdb::MsMs2721861Specdb::MsMs2721862Specdb::MsMs2721863Specdb::MsMs3010473Specdb::MsMs3010474Specdb::MsMs3010475HMDB30969#<Reference:0x00005556730b3758>Cocoa and cocoa productsUnknowngenericCocoa beanType 1specificTheobroma cacao3641Fats and oilsUnknowngeneric