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Chemical structure of Deoxycholic Acid (sodium salt hydrate)

GC43408

Deoxycholic Acid (sodium salt hydrate)

Also known as sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoate;hydrate

Deoxycholic acid (cholanoic acid) sodium hydrate,a bile acid, is a by-product of intestinal metabolism, that activates the G protein-coupled bile acid receptorTGR5

ChemicalCAS145224-92-6MW432.6FormulaC24H39O4•Na [H2O]
CAS number
145224-92-6
Molecular weight
432.6
Formula
C24H39O4•Na [H2O]
Solubility
DMF： 5 mg/ml,DMSO： 10 mg/ml,Ethanol： 15 mg/ml,PBS (pH 7·2)： 1 mg/ml
InChIKey
NDVHNZISGVSFMP-WTCAICSISA-M
Catalogue number
GC43408
Brand
GLPBIO
Computed properties PubChem CID 23679071 · TPSA 81.6 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
81.6 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
30

SMILES C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.O.[Na+]

Computed descriptors from PubChem (CID 23679071), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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