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Chemical structure of ω-Muricholic Acid

GC40720

ω-Muricholic Acid

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

ω-Muricholic acid (ω-MCA) is a murine-specific secondary bile acid·[1],[2] It is formed via enzymatic conversion of β-MCA by a variety of intestinal microorganisms, including Clostridium, in rat and mouse gut

ChemicalCAS6830-03-1MW408.6FormulaC24H40O5
CAS number
6830-03-1
Molecular weight
408.6
Formula
C24H40O5
Solubility
20mg/ml in ethanol & DMSO, 30mg/ml in DMF
InChIKey
DKPMWHFRUGMUKF-NTPBNISXSA-N
Catalogue number
GC40720
Brand
GLPBIO
Computed properties PubChem CID 5283851 · XLogP 3.9 · TPSA 98 Ų · H-bond donors 4
XLogP
3.9
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Computed descriptors from PubChem (CID 5283851), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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