HU-331

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Systematic / IUPAC Name: (1'R,6'R)-6-Hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triene-2,5-dione

ID: Reference5113

Other Names: Cannabidiol hydroxyquinone;
3-Hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-2,5-cyclohexadiene-1,4-dione;
2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-

Formula: C21H28O3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

HU-331 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 191
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/11/2016 7:44:45 AM
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Identificators

InChI InChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
InChI Key WDXXEUARVHTWQF-DLBZAZTESA-N
Canonical SMILES CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CCC2C(=C)C)C
CAS 137252256
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Other Names Cannabidiol hydroxyquinone;
3-Hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-2,5-cyclohexadiene-1,4-dione;
2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-

In Other Databases

Wikipedia HU-331
PubChem 11393311
ChemSpider 9568213