| Record Information |
|---|
| Version | 1.0 |
|---|
| Created at | 2020-09-11 15:52:38 UTC |
|---|
| Updated at | 2020-11-18 16:40:18 UTC |
|---|
| CannabisDB ID | CDB006353 |
|---|
| Secondary Accession Numbers | Not Available |
|---|
| Cannabis Compound Identification |
|---|
| Common Name | 11-Nor-9-carboxy-THC |
|---|
| Description | 104874-50-2, also known as THC-11-Oic acid, 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. 104874-50-2 is an extremely weak basic (essentially neutral) compound (based on its pKa). |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 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 | | (6AR-trans)-isomer OF 11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid | MeSH | | 11-Nor-9-carboxy-delta(9)-tetrahydrocannabinol | MeSH | | Tetrahydrocannabinol-7-Oic acid | MeSH | | THC-11-Oic acid | MeSH | | 11-Nor-9-carboxy-THC | MeSH | | delta-9-11-Carboxytetrahydrocannabinol | MeSH | | delta(1)-Tetrahydrocannabinol-7-Oic acid | MeSH | | 11-Nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid | MeSH |
|
|---|
| Chemical Formula | C21H28O4 |
|---|
| Average Molecular Weight | 344.451 |
|---|
| Monoisotopic Molecular Weight | 344.198759382 |
|---|
| IUPAC Name | (6aS,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-9-carboxylic acid |
|---|
| Traditional Name | (6aS,10aS)-1-hydroxy-6,6-dimethyl-3-pentyl-6aH,7H,8H,10aH-benzo[c]isochromene-9-carboxylic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | [H][C@]12CCC(=C[C@]1([H])C1=C(O)C=C(CCCCC)C=C1OC2(C)C)C(O)=O |
|---|
| 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 |
|---|
| InChI Key | YOVRGSHRZRJTLZ-HOTGVXAUSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Benzopyrans |
|---|
| Sub Class | 1-benzopyrans |
|---|
| Direct Parent | 2,2-dimethyl-1-benzopyrans |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
|
Not Available | | Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | logP | Not Available | Not Available |
|
|---|
| Predicted Properties | [] |
|---|
| |
| 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 |
|
|---|
