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Chemical structure of Cholic acid-d5

GC66372

Cholic acid-d5

Also known as (4R)-4-[(3R,5S,10S,12S,13R,14S,17R)-2,2,3,4,4-pentadeuterio-3,7,12-trihydroxy-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Cholic acid-d5 is the deuterium labeled Cholic acid· Cholic acid is a major primary bile acid produced in the liver and usually conjugated with glycine or taurine· It facilitates fat absorption and cholesterol excretion

ChemicalCAS53007-09-3MW413.6FormulaC24H35D5O5
CAS number
53007-09-3
Molecular weight
413.6
Formula
C24H35D5O5
Solubility
DMSO ： 100 mg/mL (241·78 mM; ultrasonic and warming and heat to 60°C)
InChIKey
BHQCQFFYRZLCQQ-QBERNLAISA-N
Catalogue number
GC66372
Brand
GLPBIO
Computed properties PubChem CID 169488333 · XLogP 3.6 · TPSA 98 Ų · H-bond donors 4
XLogP
3.6
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

SMILES [2H][C@]1(C(C[C@]2([C@@H](C1([2H])[2H])CC(C3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)O)C)([2H])[2H])O

Computed descriptors from PubChem (CID 169488333), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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