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Chemical structure of 5β,6β-epoxy Cholestanol

GC40418

5β,6β-epoxy Cholestanol

Also known as (1S,2R,5S,7S,9R,11S,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecan-5-ol

5β,6β-epoxy Cholestanol is an oxidative metabolite of cholesterol that is formed via radical and non-radical oxidation of cholesterol at the 5,6-double bond

ChemicalCAS4025-59-6MW402.7FormulaC27H46O2
CAS number
4025-59-6
Molecular weight
402.7
Formula
C27H46O2
Solubility
≤20mg/ml in Ethanol; 0·1mg/ml in DMSO; 2mg/ml in DMF; Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/ml
InChIKey
PRYIJAGAEJZDBO-DTLXENBRSA-N
Catalogue number
GC40418
Brand
GLPBIO
Computed properties PubChem CID 108109 · XLogP 8 · TPSA 32.8 Ų · H-bond donors 1
XLogP
8
TPSA
32.8 Ų
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
29

SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]4[C@]5([C@@]3(CC[C@@H](C5)O)C)O4)C

Computed descriptors from PubChem (CID 108109), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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