1.0 2010-04-08 22:12:59 UTC 2019-11-26 03:14:34 UTC FDB017269 Glycerol 1-dodecanoate 2-tetradecanoate 3-octanoate Isolated from coconut oil. Glycerol 1-dodecanoate 2-tetradecanoate 3-octanoate is found in fats and oils and nuts. 2-Myristocaprylolaurin a-Caprylo-b-myristo-a'-laurin Glycerol 1-dodecanoate 3-octanoate 2-tetradecanoate C37H70O6 610.9481 610.517239972 1-(dodecanoyloxy)-3-(octanoyloxy)propan-2-yl tetradecanoate 1-(dodecanoyloxy)-3-(octanoyloxy)propan-2-yl tetradecanoate CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC InChI=1S/C37H70O6/c1-4-7-10-13-15-17-18-20-22-25-28-31-37(40)43-34(32-41-35(38)29-26-23-12-9-6-3)33-42-36(39)30-27-24-21-19-16-14-11-8-5-2/h34H,4-33H2,1-3H3 XJEQUBKBCWQXOB-UHFFFAOYSA-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 9.51 ALOGPS logs -7.66 ALOGPS solubility 1.34e-05 g/l ALOGPS melting_point Mp 14.1° logp 12.7 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1-(dodecanoyloxy)-3-(octanoyloxy)propan-2-yl tetradecanoate ChemAxon average_mass 610.9481 ChemAxon mono_mass 610.517239972 ChemAxon smiles CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC ChemAxon formula C37H70O6 ChemAxon inchi InChI=1S/C37H70O6/c1-4-7-10-13-15-17-18-20-22-25-28-31-37(40)43-34(32-41-35(38)29-26-23-12-9-6-3)33-42-36(39)30-27-24-21-19-16-14-11-8-5-2/h34H,4-33H2,1-3H3 ChemAxon inchikey XJEQUBKBCWQXOB-UHFFFAOYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 176.88 ChemAxon polarizability 78.92 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 563596 Specdb::MsMs 563597 Specdb::MsMs 563598 Specdb::MsMs 2284165 Specdb::MsMs 2284166 Specdb::MsMs 2284167 Specdb::MsMs 2448928 Specdb::MsMs 2448929 Specdb::MsMs 2448930 Specdb::MsMs 2486868 Specdb::MsMs 2486869 Specdb::MsMs 2486870 Specdb::MsMs 2567947 Specdb::MsMs 2567948 Specdb::MsMs 2567949 Specdb::MsMs 2775788 Specdb::MsMs 2775789 Specdb::MsMs 2775790 HMDB38058 #<Reference:0x000055ce319ae8b8> Fats and oils Unknown generic Nuts Unknown generic