Cannabidiol

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Systematic / IUPAC Name: 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol

ID: Reference1953

Other Names: 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans-)-;
Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl- ;
CBD

Formula: C21H30O2

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

Cannabidiol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 5
No. of Spectra 455
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/30/2017 9:30:08 AM
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Identificators

InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3
InChI Key QHMBSVQNZZTUGM-UHFFFAOYSA-N
Canonical SMILES CCCCCC1=CC(=C(C(=C1)O)C2C=C(CCC2C(=C)C)C)O
CAS 13956291
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Other Names 1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans-)-;
Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl- ;
CBD

In Other Databases

ChemSpider 454786
ChEMBL CHEMBL76762
Wikipedia Cannabidiol
PubChem 521372