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Chemical structure of Ursodeoxycholic Acid-d4

GC48230

Ursodeoxycholic Acid-d4

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

A quantitative analytical standard guaranteed to meet MaxSpec® identity, purity, stability, and concentration specifications

ChemicalCAS347841-46-7MW396.6FormulaC24H36D4O4
CAS number
347841-46-7
Molecular weight
396.6
Formula
C24H36D4O4
Solubility
DMF： 10 mg/ml,DMSO： 10 mg/ml,DMSO：PBS(pH 7·2) (1：4)： 0·2 mg/ml,Ethanol： 1 mg/ml
InChIKey
RUDATBOHQWOJDD-RADQSFQKSA-N
Catalogue number
GC48230
Brand
GLPBIO
Computed properties PubChem CID 49849893 · 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]C1(C[C@@]2([C@H]3CC[C@@]4([C@H](CCC4[C@@H]3[C@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)[C@H](C)CCC(=O)O)C)C)[2H]

Computed descriptors from PubChem (CID 49849893), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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