| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-30 18:58:43 UTC |
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| Updated at | 2020-11-18 16:36:52 UTC |
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| CannabisDB ID | CDB001900 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:1(13Z)) |
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| Description | This compound is expected to be in Cannabis as all living plants are known to produce and metabolize it. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 1-linoleoyl-2-linoleoyl-3-erucoyl-glycerol | SMPDB | | TG(18:2/18:2/22:1) | SMPDB | | TG(18:2n6/18:2n6/22:1n9) | SMPDB | | TG(18:2w6/18:2w6/22:1w9) | SMPDB | | TG(58:5) | SMPDB | | Tag(18:2(9Z,12Z)/18:2(9Z,12Z)/22:1(13Z)) | SMPDB | | Tag(18:2/18:2/22:1) | SMPDB | | Tag(18:2n6/18:2n6/22:1n9) | SMPDB | | Tag(18:2w6/18:2w6/22:1w9) | SMPDB | | Tag(58:5) | SMPDB | | Triacylglycerol(18:2(9Z,12Z)/18:2(9Z,12Z)/22:1(13Z)) | SMPDB | | Triacylglycerol(18:2/18:2/22:1) | SMPDB | | Triacylglycerol(18:2n6/18:2n6/22:1n9) | SMPDB | | Triacylglycerol(18:2w6/18:2w6/22:1w9) | SMPDB | | Triacylglycerol(58:5) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(18:2(9Z,12Z)/18:2(9Z,12Z)/22:1(13Z)) | SMPDB | | (2R)-2,3-Bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoic acid | Generator |
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| Chemical Formula | C61H108O6 |
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| Average Molecular Weight | 937.53 |
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| Monoisotopic Molecular Weight | 936.8146 |
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| IUPAC Name | (2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoate |
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| Traditional Name | (2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (13Z)-docos-13-enoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC |
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| InChI Identifier | InChI=1S/C61H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h17-18,20-21,25-28,32-33,58H,4-16,19,22-24,29-31,34-57H2,1-3H3/b20-17-,21-18-,28-25-,32-26-,33-27-/t58-/m0/s1 |
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| InChI Key | BMAGIXXDTYUYPM-CQJTYHHPSA-N |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Ontology |
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|
Not Available | | Physical Properties |
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| State | Not Available |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
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| Predicted Properties | [] |
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