CP 47,497-C8-Homolog C-8-hydroxy metabolite

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Systematic / IUPAC Name: 2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(9-hydroxy-2-methyl-2-nonanyl)phenol

ID: Reference4959

Other Names: Benzeneoctanol, 3-hydroxy-4-[(1S,3R)-3-hydroxycyclohexyl]-θ,θ-dimethyl-;
5-(9-Hydroxy-2-methylnonan-2-yl)-2-((1S,3R)-3-hydroxycyclohexyl)phenol

Formula: C22H36O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs

Spectral Data

CP 47,497-C8-Homolog C-8-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 311
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 6/4/2016 8:55:44 AM
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Identificators

InChI InChI=1S/C22H36O3/c1-22(2,13-6-4-3-5-7-14-23)18-11-12-20(21(25)16-18)17-9-8-10-19(24)15-17/h11-12,16-17,19,23-25H,3-10,13-15H2,1-2H3/t17-,19+/m0/s1
InChI Key CGEUPVXPOYJOQH-PKOBYXMFSA-N
Canonical SMILES CC(C)(CCCCCCCO)C1=CC(=C(C=C1)C2CCCC(C2)O)O
CAS 1554485481
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Other Names Benzeneoctanol, 3-hydroxy-4-[(1S,3R)-3-hydroxycyclohexyl]-θ,θ-dimethyl-;
5-(9-Hydroxy-2-methylnonan-2-yl)-2-((1S,3R)-3-hydroxycyclohexyl)phenol

In Other Databases

ChemSpider 29341873
PubChem 95566196