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Chemical structure of Chenodeoxycholic acid-d5

GC75994

Chenodeoxycholic acid-d5

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

Chenodeoxycholic acid-d5 is the deuterium labeled Chenodeoxycholic Acid

ChemicalCAS52840-12-7MW397.6FormulaC24H35D5O4
CAS number
52840-12-7
Molecular weight
397.6
Formula
C24H35D5O4
Solubility
DMSO： 50 mg/mL (125·75 mM; Need ultrasonic and warming)
InChIKey
RUDATBOHQWOJDD-FVAYXOGXSA-N
Catalogue number
GC75994
Brand
GLPBIO
Computed properties PubChem CID 71309530 · 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 [2H][C@]1(C(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C1([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)([2H])[2H])O

Computed descriptors from PubChem (CID 71309530), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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