1.0 2010-04-08 22:05:40 UTC 2025-11-18 22:47:48 UTC FDB003124 Glycerol 2,3-di-(9Z-octadecenoate) 1-hexadecanoate Isolated from cocoa butter, olive oil and palm oil. Glycerol 2,3-di-(9Z-octadecenoate) 1-hexadecanoate is found in cocoa and cocoa products and fats and oils. 1-Palmitodiolein a,b-Dioleopalmitin Glycerol 1-hexadecanoate 2,3-di-(9Z-octadecenoate) sn-Glyceryl 1,2-dioleate 3-palmitate C55H102O6 859.3948 858.767640996 2-(hexadecanoyloxy)-3-[(9E)-octadec-9-enoyloxy]propyl (9E)-octadec-9-enoate 2-(hexadecanoyloxy)-3-[(9E)-octadec-9-enoyloxy]propyl (9E)-octadec-9-enoate 14960-35-1 CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25+,28-26+ PPTGNVIVNZLPPS-NBHCHVEOSA-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 Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives liquid logp 10.74 ALOGPS logs -8.05 ALOGPS solubility 7.69e-06 g/l ALOGPS melting_point Mp 18.5-19° (S-form) logp 19.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 2-(hexadecanoyloxy)-3-[(9E)-octadec-9-enoyloxy]propyl (9E)-octadec-9-enoate ChemAxon average_mass 859.3948 ChemAxon mono_mass 858.767640996 ChemAxon smiles CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC ChemAxon formula C55H102O6 ChemAxon inchi InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25+,28-26+ ChemAxon inchikey PPTGNVIVNZLPPS-NBHCHVEOSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 261.93 ChemAxon polarizability 116.36 ChemAxon rotatable_bond_count 52 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 602098 Specdb::MsMs 602099 Specdb::MsMs 602100 Specdb::MsMs 2412154 Specdb::MsMs 2412155 Specdb::MsMs 2412156 Specdb::MsMs 2549580 Specdb::MsMs 2549581 Specdb::MsMs 2549582 Specdb::MsMs 2572010 Specdb::MsMs 2572011 Specdb::MsMs 2572012 Specdb::MsMs 2786275 Specdb::MsMs 2786276 Specdb::MsMs 2786277 Specdb::MsMs 2855716 Specdb::MsMs 2855717 Specdb::MsMs 2855718 HMDB0031116 Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Fats and oils Unknown generic