Structure Database (LMSD)
Common Name
Cannabinolic acid
Systematic Name
1-hydroxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-2-carboxylic acid
Synonyms
- CBNA
3D model of Cannabinolic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
Cannabinolic acid is an analytical reference standard that is structurally similar to known phytocannabinoids.1 Cannabinolic acid has been found in Cannabis and is an oxidative product of Δ9-THCA (THCA-A).1,2 This product is intended for research and forensic applications.
This information has been provided by Cayman Chemical
References
1. Moreno, T., Dyer, P., and Tallon, S. Cannabinoid decarboxylation: A comparative kinetic study. Ind. Eng. Chem. Res. 59(46), 20307-20315 (2020).
2. Basas-Jaumandreu, J., and de Las Heras, F.X.C. GC-MS metabolite profile and identification of unusual homologous cannabinoids in high potency Cannabis sativa. Planta Med. 86(5), 338-347 (2020).
References
String Representations
InChiKey (Click to copy)
KXKOBIRSQLNUPS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H26O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h9-12,23H,5-8H2,1-4H3,(H,24,25)
SMILES (Click to copy)
C12=C(C(C)(OC3C=C(C(C(O)=O)=C(O)C=31)CCCCC)C)C=CC(C)=C2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
346.96
Topological Polar Surface Area
68.83
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
5.43
Molar Refractivity
102.12
Admin
Created at
31st Jul 2024
Updated at
31st Jul 2024