1.0 2010-04-08 22:05:39 UTC 2019-11-26 02:58:29 UTC FDB003115 Tripetroselinin Constituent of some Umbelliferae seed oils, e.g. parsley (Petroselinum) subspecies Tripetroselinin is found in herbs and spices. 1,2,3-Tri(cis-6-octadecenoyl)glycerol Glycerol Cis-6-octadecenoate Glyceryl tripetroselinate Tripetroselinin C57H104O6 885.4321 884.78329106 1,3-bis[(6E)-octadec-6-enoyloxy]propan-2-yl (6E)-octadec-6-enoate 1,3-bis[(6E)-octadec-6-enoyloxy]propan-2-yl (6E)-octadec-6-enoate 3296-43-3 CCCCCCCCCCC\C=C\CCCCC(=O)OCC(COC(=O)CCCC\C=C\CCCCCCCCCCC)OC(=O)CCCC\C=C\CCCCCCCCCCC InChI=1S/C57H104O6/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/h34-39,54H,4-33,40-53H2,1-3H3/b37-34+,38-35+,39-36+ SEMJUQWPYRYUOY-GMHCBVOVSA-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 logp 10.85 ALOGPS logs -8.16 ALOGPS solubility 6.12e-06 g/l ALOGPS melting_point Mp 28° logp 20.51 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(6E)-octadec-6-enoyloxy]propan-2-yl (6E)-octadec-6-enoate ChemAxon average_mass 885.4321 ChemAxon mono_mass 884.78329106 ChemAxon smiles CCCCCCCCCCC\C=C\CCCCC(=O)OCC(COC(=O)CCCC\C=C\CCCCCCCCCCC)OC(=O)CCCC\C=C\CCCCCCCCCCC ChemAxon formula C57H104O6 ChemAxon inchi InChI=1S/C57H104O6/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/h34-39,54H,4-33,40-53H2,1-3H3/b37-34+,38-35+,39-36+ ChemAxon inchikey SEMJUQWPYRYUOY-GMHCBVOVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 272.25 ChemAxon polarizability 118.93 ChemAxon rotatable_bond_count 53 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 652996 Specdb::MsMs 652997 Specdb::MsMs 652998 Specdb::MsMs 2338459 Specdb::MsMs 2338460 Specdb::MsMs 2338461 Specdb::MsMs 2597194 Specdb::MsMs 2597195 Specdb::MsMs 2597196 Specdb::MsMs 2623490 Specdb::MsMs 2623491 Specdb::MsMs 2623492 Specdb::MsMs 2704022 Specdb::MsMs 2704023 Specdb::MsMs 2704024 Specdb::MsMs 2717760 Specdb::MsMs 2717761 Specdb::MsMs 2717762 HMDB31108 #<Reference:0x000055ce3068d680> Herbs and Spices Unknown generic