Cannabinodiol

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Systematic / IUPAC Name: 2'-Isopropenyl-5'-methyl-4-pentyl-2,6-biphenyldiol

ID: Reference6507

Other Names: 5'-Methyl-2'-(1-methylethenyl)-4-pentyl-[1,1'-biphenyl]-2,6-diol

Formula: C21H26O2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

Cannabinodiol 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 2
No. of Spectra 184
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/24/2017 7:59:24 AM
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Identificators

InChI InChI=1S/C21H26O2/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/h9-13,22-23H,2,5-8H2,1,3-4H3
InChI Key TWKHUZXSTKISQC-UHFFFAOYSA-N
Canonical SMILES CCCCCC1=CC(=C(C(=C1)O)C2=C(C=CC(=C2)C)C(=C)C)O
CAS 39624812
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Other Names 5'-Methyl-2'-(1-methylethenyl)-4-pentyl-[1,1'-biphenyl]-2,6-diol

In Other Databases

PubChem 11551346
Wikipedia Cannabinodiol
ChemSpider 9726124