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Chemical structure of Deoxycholic acid-d5

GC71850

Deoxycholic acid-d5

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

Deoxycholic acid-d5 is the deuterium labeled Deoxycholic acid

ChemicalCAS52840-14-9MW397.6FormulaC24H35D5O4
CAS number
52840-14-9
Molecular weight
397.6
Formula
C24H35D5O4
InChIKey
KXGVEGMKQFWNSR-JTHHUVBGSA-N
Catalogue number
GC71850
Brand
GLPBIO
Computed properties PubChem CID 71315441 · 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](C1([2H])[2H])CCC3C2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)C)O)C)([2H])[2H])O

Computed descriptors from PubChem (CID 71315441), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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