(+/-)-epi CP 47, 497

enlarge

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

ID: Reference6263

Other Names: Phenol, 5-(1,1-dimethylheptyl)-2-[(1S,3S)-3-hydroxycyclohexyl]-;
rel-2[(1S,3S)-3-Hydroxycyclohexyl)]-5-(2-methyloctan-2-yl)phenol ;
3-trans CP 47,497

Formula: C21H34O2

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

(+/-)-epi CP 47, 497 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 254
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/14/2017 9:37:59 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3/t16-,18-/m0/s1
InChI Key ZWWRREXSUJTKNN-WMZOPIPTSA-N
Canonical SMILES CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O
CAS
Splash
Other Names Phenol, 5-(1,1-dimethylheptyl)-2-[(1S,3S)-3-hydroxycyclohexyl]-;
rel-2[(1S,3S)-3-Hydroxycyclohexyl)]-5-(2-methyloctan-2-yl)phenol ;
3-trans CP 47,497

In Other Databases

ChEMBL CHEMBL163058
ChemSpider 23232431
PubChem 24066919