(+/-)-CP 55,940

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Systematic / IUPAC Name: rel-5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-phenol

ID: Reference5085

Other Names: CP-55,940;
CP-55940;
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol;
Phenol, 5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, (1α,2β,5α)-

Formula: C24H40O3

Class: Drugs of Abuse/Illegal Drugs Sports Doping 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 3
No. of Spectra 325
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/22/2022 11:25:52 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-/m1/s1
InChI Key YNZFFALZMRAPHQ-SYYKKAFVSA-N
Canonical SMILES CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCCO)O)O
CAS 83003127
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Other Names CP-55,940;
CP-55940;
5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol;
Phenol, 5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, (1α,2β,5α)-

In Other Databases

Wikipedia CP 55,940
ChemIDPlus 083003127
PubChem 104895
ChemSpider 94668
ChEMBL CHEMBL559612