| Record Information |
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| Version | 1.0 |
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| Created at | 2020-03-30 18:57:40 UTC |
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| Updated at | 2020-11-18 16:36:51 UTC |
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| CannabisDB ID | CDB001885 |
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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)/18:1(11Z)/18:1(11Z)) |
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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-vaccenoyl-3-vaccenoyl-glycerol | SMPDB | | TG(18:2/18:1/18:1) | SMPDB | | TG(18:2n6/18:1n7/18:1n7) | SMPDB | | TG(18:2w6/18:1w7/18:1w7) | SMPDB | | TG(54:4) | SMPDB | | Tag(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) | SMPDB | | Tag(18:2/18:1/18:1) | SMPDB | | Tag(18:2n6/18:1n7/18:1n7) | SMPDB | | Tag(18:2w6/18:1w7/18:1w7) | SMPDB | | Tag(54:4) | SMPDB | | Triacylglycerol(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) | SMPDB | | Triacylglycerol(18:2/18:1/18:1) | SMPDB | | Triacylglycerol(18:2n6/18:1n7/18:1n7) | SMPDB | | Triacylglycerol(18:2w6/18:1w7/18:1w7) | SMPDB | | Triacylglycerol(54:4) | SMPDB | | Triacylglycerol | SMPDB | | Triglyceride | SMPDB | | TG(18:2(9Z,12Z)/18:1(11Z)/18:1(11Z)) | SMPDB | | (2R)-2,3-Bis[(11Z)-octadec-11-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoic acid | Generator |
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| Chemical Formula | C57H102O6 |
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| Average Molecular Weight | 883.44 |
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| Monoisotopic Molecular Weight | 882.7676 |
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| IUPAC Name | (2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate |
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| Traditional Name | (2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propyl (9Z,12Z)-octadeca-9,12-dienoate |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC |
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| InChI Identifier | InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19-21,23-25,28,54H,4-15,17-18,22,26-27,29-53H2,1-3H3/b19-16-,23-20-,24-21-,28-25-/t54-/m0/s1 |
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| InChI Key | WYYFGQDJMAHICF-JUPJRMGTSA-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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