(+)-CP 55,940

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

ID: Reference5458

Other Names: 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol;
Phenol, 5-(1,1-dimethylheptyl)-2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-;
3-(2-Hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol

Formula: C24H40O3

Class: Drugs of Abuse/Illegal Drugs

Spectral Data

(+)-CP 55,940 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 Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 8/8/2016 8:33:54 AM
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Identificators

InChI InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m0/s1
InChI Key YNZFFALZMRAPHQ-VCOUNFBDSA-N
Canonical SMILES CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O
CAS
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Other Names 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol;
Phenol, 5-(1,1-dimethylheptyl)-2-[(1S,2S,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-;
3-(2-Hydroxy-4-(1,1-dimethylheptyl)phenyl)-4-(3-hydroxypropyl)cyclohexanol

In Other Databases

ChEMBL CHEMBL2062131
PubChem 5311056
Wikipedia CP 55,940
ChemSpider 4470593