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
(+/-)-epi CP 47, 497 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 | |
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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 |
ChEMBL | CHEMBL163058 |
ChemSpider | 23232431 |
PubChem | 24066919 |