1.0 2020-03-30 19:43:37 UTC 2020-11-18 16:37:34 UTC CDB002537 TG(20:1(11Z)/22:0/22:0) This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. 1-eicosenoyl-2-behenoyl-3-behenoyl-glycerol TG(20:1/22:0/22:0) TG(20:1n9/22:0/22:0) TG(20:1w9/22:0/22:0) TG(64:1) Tag(20:1(11Z)/22:0/22:0) Tag(20:1/22:0/22:0) Tag(20:1n9/22:0/22:0) Tag(20:1w9/22:0/22:0) Tag(64:1) Triacylglycerol(20:1(11Z)/22:0/22:0) Triacylglycerol(20:1/22:0/22:0) Triacylglycerol(20:1n9/22:0/22:0) Triacylglycerol(20:1w9/22:0/22:0) Triacylglycerol(64:1) Triacylglycerol Triglyceride TG(20:1(11Z)/22:0/22:0) (2R)-1-(Docosanoyloxy)-3-[(11Z)-icos-11-enoyloxy]propan-2-yl docosanoic acid C67H128O6 1029.76 1028.9711 (2R)-1-(docosanoyloxy)-3-[(11Z)-icos-11-enoyloxy]propan-2-yl docosanoate (2R)-1-(docosanoyloxy)-3-[(11Z)-icos-11-enoyloxy]propan-2-yl docosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,64H,4-26,28-29,31-63H2,1-3H3/b30-27-/t64-/m0/s1 FEVVXYSELXHRIH-JNVPJEGXSA-N logp 10.66 ALOGPS logs -7.96 ALOGPS logp 25.68 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(docosanoyloxy)-3-[(11Z)-icos-11-enoyloxy]propan-2-yl docosanoate ChemAxon average_mass 1029.76 ChemAxon mono_mass 1028.9711 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H128O6 ChemAxon inchi InChI=1S/C67H128O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h27,30,64H,4-26,28-29,31-63H2,1-3H3/b30-27-/t64-/m0/s1 ChemAxon inchikey FEVVXYSELXHRIH-JNVPJEGXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 316.02 ChemAxon polarizability 141.94 ChemAxon rotatable_bond_count 65 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