HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Murideoxycholic acid
Murideoxycholic Acid · Murideoxycholic Acid-[d4] · 5β-Cholanic Acid-3α,6β-diol · 5b-Cholanic Acid-3a,6b-diol · Murideoxycholic Acid (Standard) · 3α,6β-Dihydroxy-5β-Cholan-24-Oic Acid · (R)-4-((3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Identifikatoren & physikalische Daten
| CAS No. | 668-49-5 |
|---|---|
| Summenformel | C24H40O4 |
| Durchschnittliche Molmasse | 392,58 g/mol |
| Monoisotopische Masse | 392,29265976 g/mol |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChIKey | DGABKXLVXPYZII-PLYQRAMGSA-N |
| PubChem CID | 5283821 |
| ChEMBL | CHEMBL272620 |
| ChEBI | CHEBI:52030 |
| DTXSID | DTXSID40861652 |
Chemische & physikalische Eigenschaften
| Schmelzpunkt | 205-208 °C |
|---|---|
| Siedepunkt | 547.1±25.0 °C(Predicted) |
| Dichte | 1.128±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.76±0.10(Predicted) |
| Farbe | White to Off-White |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5β-Cholanic Acid-3α, 6β-Diol is a cholesterol derivative; Plasma lipophilic biomarkers in rats. Also, it is one of two major metabolites from the hydroxylation of hepatic lithocholic acid catalyzed by Cyp3a/Cyp3a11 enzymes in mice.