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Chemical structure of Deoxycholic acid (Cholanoic Acid)

GC33762

Deoxycholic acid (Cholanoic Acid)

Also known as 4-(3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Deoxycholic acid (Cholanoic Acid) is a bile acid and a byproduct of intestinal metabolism that can activate the G protein-coupled bile acid receptor TGR5

ChemicalCAS83-44-3MW392.57FormulaC24H40O4
CAS number
83-44-3
Molecular weight
392.57
Formula
C24H40O4
Solubility
DMSO : ≥ 100 mg/mL (254·73 mM)
InChIKey
KXGVEGMKQFWNSR-UHFFFAOYSA-N
Catalogue number
GC33762
Brand
GLPBIO
Computed properties PubChem CID 2987 · XLogP 4.9 · TPSA 77.8 Ų · H-bond donors 3
XLogP
4.9
TPSA
77.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28

SMILES CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

Computed descriptors from PubChem (CID 2987), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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