(+/-)-CP 47,497-C7-Hydroxy metabolite

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Systematic / IUPAC Name: 2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(8-hydroxy-2-methyl-2-octanyl)phenol

ID: Reference4910

Other Names: 5-(8-Hydroxy-2-methyloctan-2-yl)-2-[(1S,3R)-3-hydroxycyclohexyl]phenol ;
Benzeneheptanol, 3-hydroxy-4-[(1S,3R)-3-hydroxycyclohexyl]-η,η-dimethyl-

Formula: C21H34O3

Class: Drugs of Abuse/Illegal Drugs Endogenous Metabolites Sports Doping Drugs

Spectral Data

(+/-)-CP 47,497-C7-Hydroxy metabolite 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 Orbitrap
No. of Spectral Trees 2
No. of Spectra 303
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/30/2016 11:07:04 AM
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Identificators

InChI InChI=1S/C21H34O3/c1-21(2,12-5-3-4-6-13-22)17-10-11-19(20(24)15-17)16-8-7-9-18(23)14-16/h10-11,15-16,18,22-24H,3-9,12-14H2,1-2H3/t16-,18+/m0/s1
InChI Key OVDBRQAUSFGKDW-FUHWJXTLSA-N
Canonical SMILES CC(C)(CCCCCCO)C1=CC(=C(C=C1)C2CCCC(C2)O)O
CAS 1554485447
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Other Names 5-(8-Hydroxy-2-methyloctan-2-yl)-2-[(1S,3R)-3-hydroxycyclohexyl]phenol ;
Benzeneheptanol, 3-hydroxy-4-[(1S,3R)-3-hydroxycyclohexyl]-η,η-dimethyl-

In Other Databases

ChemSpider 29341872
PubChem 95549496