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Chemical structure of Alloisolithocholic Acid-d4

GC91985

Alloisolithocholic Acid-d4

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

Alloisolithocholic acid-d4 is intended for use as an internal standard for the quantification of alloisolithocholic acid by GC- or LC-MS

ChemicalCAS2410277-60-8MW380.6FormulaC24H36D4O3
CAS number
2410277-60-8
Molecular weight
380.6
Formula
C24H36D4O3
Solubility
DMSO： Slightly soluble： 0·1–1 mg/ml
InChIKey
SMEROWZSTRWXGI-OTNPFYSJSA-N
Catalogue number
GC91985
Brand
GLPBIO
Computed properties PubChem CID 157337118 · XLogP 6.3 · TPSA 57.5 Ų · H-bond donors 2
XLogP
6.3
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27

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

Computed descriptors from PubChem (CID 157337118), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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