Products 1244-58-2

CAS 1244-58-2 appears in our catalog under these names: Cannabidiolic Acid, Cannabidiolic acid (CBDA), Cannabidiolic acid (CBDA) 1000 µg/mL in Acetonitrile, Cannabidiolic acid (CBDA), 1mg/ml in Acetonitrile, Cannabidiolic acid, min. 95 %, 25 mg. Offered by: Chemat Brand, Lipomed, Dr. Ehrenstorfer, Biosynth, Sigma-Aldrich. Available pack sizes: on request, 50mg, 100mg, 10mg, 5mg, 1ml, 25mg, 250mg.

Structural formula: {0} (CAS {1})

Cannabidiolic acid is a dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group. It is a dihydroxybenzoic acid, a polyketide, a member of resorcinols and a phytocannabinoid. It is functionally related to an olivetolic acid. It is a conjugate acid of a cannabidiolate.

Source: ChEBI

Identity
Molecular formulaC22H30O4
Molecular weight358.5 g/mol
IUPAC name2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
InChIKeyWVOLTBSCXRRQFR-DLBZAZTESA-N
SMILESCCCCCC1=CC(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O

Computed by PubChem (NCBI)