CAY10429

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Systematic / IUPAC Name: 4-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol

ID: Reference4435

Other Names: Abn-CBD ;
Abnormal cannabidiol;
Cannabidiol, abnormal;
4-[(1R,6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol;
4-[(1R,6R)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol

Formula: C21H30O2

Class: Therapeutics/Prescription Drugs

Spectral Data

CAY10429 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 Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 3356
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/6/2016 1:58:01 PM
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Identificators

InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1
InChI Key YWEZXUNAYVCODW-RBUKOAKNSA-N
Canonical SMILES CCCCCC1=CC(=CC(=C1C2C=C(CCC2C(=C)C)C)O)O
CAS 22972550
Splash
Other Names Abn-CBD ;
Abnormal cannabidiol;
Cannabidiol, abnormal;
4-[(1R,6R)-3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol;
4-[(1R,6R)-3-Methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;
4-[(1R,6R)-3-Methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylbenzene-1,3-diol

In Other Databases

ChemSpider 81197
ChemIDPlus 022972550
PubChem 89949
Wikipedia Abnormal cannabidiol