| Record Information |
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| Version | 1.0 |
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| Created at | 2020-09-11 15:52:38 UTC |
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| Updated at | 2020-11-18 16:40:18 UTC |
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| CannabisDB ID | CDB006353 |
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| Secondary Accession Numbers | Not Available |
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| Cannabis Compound Identification |
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| Common Name | 11-Nor-9-carboxy-THC |
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| Description | 11-Nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid, also known as 11-nor-9-carboxy-delta-9-tetrahydrocannabinol or 11-nor-9-carboxy-THC, belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. Based on a literature review a significant number of articles have been published on 11-Nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 11-Nor-delta(9)-tetrahydrocannabinol-9-carboxylate | Generator | | 11-Nor-δ(9)-tetrahydrocannabinol-9-carboxylate | Generator | | 11-Nor-δ(9)-tetrahydrocannabinol-9-carboxylic acid | Generator | | 11-Nor-9-carboxy-THC | MeSH | | delta(1)-Tetrahydrocannabinol-7-Oic acid | MeSH | | Hexadeutero-11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid | MeSH | | 11-Nor-9-carboxy-delta-9-tetrahydrocannabinol | MeSH | | delta(9)-Tetrahydrocannabinol-11-oic-acid | MeSH | | delta-9-11-Carboxytetrahydrocannabinol | MeSH | | Tetrahydrocannabinol-7-Oic acid | MeSH | | (6AR-trans)-isomer OF 11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid | MeSH | | 11-Nor-9-carboxy-delta(9)-tetrahydrocannabinol | MeSH | | THC-11-Oic acid | MeSH | | 11-Nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid | MeSH |
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| Chemical Formula | C21H28O4 |
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| Average Molecular Weight | 344.451 |
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| Monoisotopic Molecular Weight | 344.198759382 |
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| IUPAC Name | (6aS,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-9-carboxylic acid |
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| Traditional Name | (6aS,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6aH,7H,8H,10aH-benzo[c]isochromene-9-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@]12CCC(=C[C@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C)C(O)=O |
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| InChI Identifier | InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m0/s1 |
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| InChI Key | YOVRGSHRZRJTLZ-HOTGVXAUSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Benzopyrans |
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| Sub Class | 1-benzopyrans |
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| Direct Parent | 2,2-dimethyl-1-benzopyrans |
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| Alternative Parents | |
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| Substituents | - 2,2-dimethyl-1-benzopyran
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl aryl ether
- Phenol
- Benzenoid
- Carboxylic acid derivative
- Carboxylic acid
- Ether
- Monocarboxylic acid or derivatives
- Oxacycle
- Carbonyl group
- Organic oxygen compound
- Organooxygen compound
- Organic oxide
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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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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| Alien Dawg | Detected and Quantified | 0.000126 mg/g dry wt | | details | | Gabriola | Detected and Quantified | 0.00023 mg/g dry wt | | details | | Island Honey | Detected and Quantified | 0.000135 mg/g dry wt | | details | | Quadra | Detected and Quantified | 0.00021 mg/g dry wt | | details | | Sensi Star | Detected and Quantified | 7.36e-05 mg/g dry wt | | details | | Tangerine Dream | Detected and Quantified | 0.000245 mg/g dry wt | | details |
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