1.0 2016-05-25 22:08:25 UTC 2026-05-14 19:22:38 UTC Trierucin SmallMolecule Trierucin belongs to the triradylcglycerols, a subclass of glycerolipids within the organic compounds. With an average molecular weight of 1,054 g/mol, Trierucin is a heavy molecule. It has the chemical formula C69H128O6 and is classified under the superclass of lipids and lipid-like molecules. In industrial applications, this compound is used as a viscosity modifier, as well as a softener and conditioner. C69H128O6 1053.751 1052.971091828 1-[(13E)-docos-13-enoyloxy]-3-[(13Z)-docos-13-enoyloxy]propan-2-yl (13E)-docos-13-enoate 1-[(13E)-docos-13-enoyloxy]-3-[(13Z)-docos-13-enoyloxy]propan-2-yl (13E)-docos-13-enoate 2752-99-0 CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26+,30-27+ XDSPGKDYYRNYJI-UCTUUELPSA-N Detected and Not Quantified De Novo Triacylglycerol Biosynthesis TG(22:1(13Z)/22:1(13Z)/22:1(13Z)) SMP0023581 logp 25.84 logp 10.74 ALOGPS logs -8.20 ALOGPS solubility 6.67e-06 g/l ALOGPS logp 25.84 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1-[(13E)-docos-13-enoyloxy]-3-[(13Z)-docos-13-enoyloxy]propan-2-yl (13E)-docos-13-enoate ChemAxon average_mass 1053.751 ChemAxon mono_mass 1052.971091828 ChemAxon smiles CCCCCCCC\C=C\CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C\CCCCCCCC ChemAxon formula C69H128O6 ChemAxon inchi InChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,66H,4-24,31-65H2,1-3H3/b28-25-,29-26+,30-27+ ChemAxon inchikey XDSPGKDYYRNYJI-UCTUUELPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 327.46 ChemAxon polarizability 143.94 ChemAxon rotatable_bond_count 65 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3baea43b70> DB12528 5463075 4575813