1.0 2020-03-30 19:22:48 UTC 2020-11-18 16:37:04 UTC CDB002243 TG(18:3(9Z,12Z,15Z)/20:1(13Z)/22:1(13Z)) This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. 1-alpha-linolenoyl-2-paullinoyl-3-erucoyl-glycerol TG(18:3/20:1/22:1) TG(18:3n3/20:1n7/22:1n9) TG(18:3w3/20:1w7/22:1w9) TG(60:5) Tag(18:3(9Z,12Z,15Z)/20:1(13Z)/22:1(13Z)) Tag(18:3/20:1/22:1) Tag(18:3n3/20:1n7/22:1n9) Tag(18:3w3/20:1w7/22:1w9) Tag(60:5) Triacylglycerol(18:3(9Z,12Z,15Z)/20:1(13Z)/22:1(13Z)) Triacylglycerol(18:3/20:1/22:1) Triacylglycerol(18:3n3/20:1n7/22:1n9) Triacylglycerol(18:3w3/20:1w7/22:1w9) Triacylglycerol(60:5) Triacylglycerol Triglyceride TG(18:3(9Z,12Z,15Z)/20:1(13Z)/22:1(13Z)) (2R)-2-[(13Z)-Icos-13-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (13Z)-docos-13-enoic acid C63H112O6 965.58 964.8459 (2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (13Z)-docos-13-enoate (2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (13Z)-docos-13-enoate [H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,34,60H,4-8,10-11,13-17,19,22,24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,34-27-/t60-/m0/s1 CIVFNESXJUTPTF-WHOJIFICSA-N logp 10.86 ALOGPS logs -8.22 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(13Z)-icos-13-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (13Z)-docos-13-enoate ChemAxon average_mass 965.58 ChemAxon mono_mass 964.8459 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCC\C=C/CCCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,25,27-28,34,60H,4-8,10-11,13-17,19,22,24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,23-20-,28-25-,34-27-/t60-/m0/s1 ChemAxon inchikey CIVFNESXJUTPTF-WHOJIFICSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 127.71 ChemAxon rotatable_bond_count 57 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