HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Ethylidene-Obeticholic Acid
Obeticholic Acid Impurity 22 · Obeticholic Acid Impurity 42 · 6-Vinyl Chenodeoxycholic Acid · (3α,5β,7α)-6-ethylidene-3,7-dihydroxycholan-24-oic acid · Cholan-24-oic acid, 6-ethylidene-3,7-dihydroxy-, (3α,5β,7α)- · 6-Vinyl Chenodeoxycholic Acid/(3α,5β,7α)-6-Ethylidene-3,7-dihydroxycholan-24-oic Acid
Identifikatoren & physikalische Daten
| CAS No. | 1908444-27-8 |
|---|---|
| Summenformel | C26H42O4 |
| Durchschnittliche Molmasse | 418,6 g/mol |
| SMILES | CC=C1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12 |
| InChIKey | NJXXWLPIJNFPHG-UUGNNPPRSA-N |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 77,8 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 30 |
| Formalladung | 0 |
| Komplexität | 701 |
| Siedepunkt | 570.7±40.0 °C(Predicted) |
| Dichte | 1.146±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 4.76±0.10(Predicted) |
Anwendungen & Verwendung
Verwenden
6-Vinyl Chenodeoxycholic Acid is a derivative of Chenodeoxycholic Acid (C291900), a major bile acid in many vertebrates, occurring as the N-glycine and/or N-taurine conjugate. With other bile acids, forms mixed micelles with lecithin in bile which solubilize cholesterol and thus facilitates its excretion.