1.0 2010-04-08 22:12:59 UTC 2019-11-26 03:14:35 UTC FDB017272 Triricinolein Isolated from castor oil (Ricinus communis). Triricinolein is found in fats and oils. 1,2,3-Propanetriol tri(12-hydroxy-9-octadecenoate) 12-Hydroxy-9-octadecenoic acid, 1,2,3-propanetriyl ester 9-Octadecenoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester Glycerol triricinoleate Glyceryl triricinoleate Ricinolein Ricinolein, tri- Tri-ricinolein Triricinolein C57H104O9 933.4303 932.768034926 2-{[(9E)-12-hydroxyoctadec-9-enoyl]oxy}-3-{[(9Z)-12-hydroxyoctadec-9-enoyl]oxy}propyl (9Z)-12-hydroxyoctadec-9-enoate 2-{[(9E)-12-hydroxyoctadec-9-enoyl]oxy}-3-{[(9Z)-12-hydroxyoctadec-9-enoyl]oxy}propyl (9Z)-12-hydroxyoctadec-9-enoate 2540-54-7 CCCCCCC(O)C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CC(O)CCCCCC)OC(=O)CCCCCCC\C=C\CC(O)CCCCCC InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27+ ZEMPKEQAKRGZGQ-YAFIDQONSA-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 Fatty alcohols Hydrocarbon derivatives Organic oxides Secondary alcohols Tricarboxylic acids and derivatives Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Fatty alcohol Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triacyl-sn-glycerol Tricarboxylic acid or derivatives logp 9.54 ALOGPS logs -7.41 ALOGPS solubility 3.64e-05 g/l ALOGPS logp 16.35 ChemAxon pka_strongest_acidic 18.4 ChemAxon pka_strongest_basic -0.83 ChemAxon iupac 2-{[(9E)-12-hydroxyoctadec-9-enoyl]oxy}-3-{[(9Z)-12-hydroxyoctadec-9-enoyl]oxy}propyl (9Z)-12-hydroxyoctadec-9-enoate ChemAxon average_mass 933.4303 ChemAxon mono_mass 932.768034926 ChemAxon smiles CCCCCCC(O)C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/CC(O)CCCCCC)OC(=O)CCCCCCC\C=C\CC(O)CCCCCC ChemAxon formula C57H104O9 ChemAxon inchi InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27+ ChemAxon inchikey ZEMPKEQAKRGZGQ-YAFIDQONSA-N ChemAxon polar_surface_area 139.59 ChemAxon refractivity 277.25 ChemAxon polarizability 121.04 ChemAxon rotatable_bond_count 53 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 672847 Specdb::MsMs 672848 Specdb::MsMs 672849 Specdb::MsMs 2654753 Specdb::MsMs 2654754 Specdb::MsMs 2654755 Specdb::MsMs 2823848 Specdb::MsMs 2823849 Specdb::MsMs 2823850 Specdb::MsMs 2854831 Specdb::MsMs 2854832 Specdb::MsMs 2854833 Specdb::MsMs 3104333 Specdb::MsMs 3104334 Specdb::MsMs 3104335 Specdb::MsMs 3107591 Specdb::MsMs 3107592 Specdb::MsMs 3107593 HMDB38061 #<Reference:0x000055ce31f495c0> #<Reference:0x000055ce31f49408> #<Reference:0x000055ce31f49250> #<Reference:0x000055ce31f49098> #<Reference:0x000055ce31f48ee0> #<Reference:0x000055ce31f48d28> #<Reference:0x000055ce31f48b20> #<Reference:0x000055ce31f48968> #<Reference:0x000055ce31f487b0> #<Reference:0x000055ce31f485f8> #<Reference:0x000055ce31f48440> #<Reference:0x000055ce31f48288> #<Reference:0x000055ce31f480d0> #<Reference:0x000055ce31f47ec8> Fats and oils Unknown generic