1.0 2020-03-30 18:59:17 UTC 2020-11-18 16:36:53 UTC CDB001908 TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:0) This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. 1-linoleoyl-2-gamma-linolenoyl-3-arachidoyl-glycerol TG(18:2/18:3/20:0) TG(18:2n6/18:3n6/20:0) TG(18:2w6/18:3w6/20:0) TG(56:5) Tag(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:0) Tag(18:2/18:3/20:0) Tag(18:2n6/18:3n6/20:0) Tag(18:2w6/18:3w6/20:0) Tag(56:5) Triacylglycerol(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:0) Triacylglycerol(18:2/18:3/20:0) Triacylglycerol(18:2n6/18:3n6/20:0) Triacylglycerol(18:2w6/18:3w6/20:0) Triacylglycerol(56:5) Triacylglycerol Triglyceride TG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/20:0) (2R)-2-[(6Z,9Z)-Octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoic acid C59H104O6 909.48 908.7833 (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,38,41,56H,4-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,41-38-/t56-/m0/s1 FNAMKCBEUKWTMJ-QHJFSPBXSA-N logp 10.86 ALOGPS logs -8.17 ALOGPS logp 20.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl icosanoate ChemAxon average_mass 909.48 ChemAxon mono_mass 908.7833 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H104O6 ChemAxon inchi InChI=1S/C59H104O6/c1-4-7-10-13-16-19-22-25-28-29-32-34-37-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,30-31,38,41,56H,4-16,19,22-25,28-29,32-37,39-40,42-55H2,1-3H3/b20-17-,21-18-,30-26-,31-27-,41-38-/t56-/m0/s1 ChemAxon inchikey FNAMKCBEUKWTMJ-QHJFSPBXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 283.68 ChemAxon polarizability 119.86 ChemAxon rotatable_bond_count 53 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon