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Chemical structure of 5α,6β-Dihydroxycholestanol

GC18176

5α,6β-Dihydroxycholestanol

Also known as (3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5,6-triol

5α,6β-Dihydroxycholestanol is an oxysterol metabolite of cholesterol formed from conversion of cholesterol epoxides by 5,6-epoxysterol hydrolase

ChemicalCAS1253-84-5MW420.7FormulaC27H48O3
CAS number
1253-84-5
Molecular weight
420.7
Formula
C27H48O3
Solubility
DMF： 2 mg/ml,DMSO： 0·1 mg/ml,Ethanol： 20 mg/ml,Ethanol：PBS (pH 7·2)(1：2)： 0·3 mg/ml
InChIKey
YMMFNKXZULYSOQ-RUXQDQFYSA-N
Catalogue number
GC18176
Brand
GLPBIO
Computed properties PubChem CID 91498 · XLogP 7 · TPSA 60.7 Ų · H-bond donors 3
XLogP
7
TPSA
60.7 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30

SMILES C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C

Computed descriptors from PubChem (CID 91498), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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