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Product Information
Chemical Data
Analyte Name
20a-Hydroxy Cholesterol
CAS Number
516-72-3
Molecular Formula
C27 H46 O2
Molecular Weight
402.65
Accurate Mass
402.3498
SMILES
CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
IUPAC
(3S,8S,9S,10R,13S,14S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
Product Description
A metabolite of Cholesterol (C432501). Cholesterol oxidation product having cytotoxicity effects.
References: Higley, N., et al.: Food Chem. Toxicol., 22, 983 (1984),