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Chemical structure of Cholesterol glucuronide

GC62896

Cholesterol glucuronide

Also known as (2S,3S,4S,5R,6R)-6-[[(10R,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Cholesterol glucuronide is an endogenous metabolite of lipid generated in the liver by UDP glucuonyltransferase

ChemicalCAS17435-78-8MW562.78FormulaC33H54O7
CAS number
17435-78-8
Molecular weight
562.78
Formula
C33H54O7
InChIKey
IJLBJBCDNYOWPJ-WWDBQNETSA-N
Catalogue number
GC62896
Brand
GLPBIO
Computed properties PubChem CID 189039 · XLogP 7.2 · TPSA 116 Ų · H-bond donors 4
XLogP
7.2
TPSA
116 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
40

SMILES C[C@H](CCCC(C)C)C1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C

Computed descriptors from PubChem (CID 189039), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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