HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Oleoside 11-Methyl Ester
Oleoside 11-methyl ester · Methyloleoside · ELENOLIC ACID GLUCOSIDE(SH) · Oleoside 11-methyl ester-RM · Elenolic acid 2-O-glucoside · Oleoside 11-methyl ester, 10 mM in DMSO · 2H-Pyran-4-acetic acid, 3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S,3E,4S)- · Oleoside 11-methyl ester,glucoside,Oleoside 11methyl ester,Inhibitor,secoiridoid,Oleoside 11 methyl ester,inhibit
Identifikatoren & physikalische Daten
| CAS No. | 60539-23-3 |
|---|---|
| Summenformel | C17H24O11 |
| Durchschnittliche Molmasse | 404,4 g/mol |
| Monoisotopische Masse | 404,13186158 g/mol |
| SMILES | C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O |
| InChIKey | XSCVKBFEPYGZSL-JYVCFIOWSA-N |
| PubChem CID | 10692563 |
| ChEMBL | CHEMBL4159745 |
| EC No. | 805-350-5 |
| DTXSID | DTXSID501313328 |
Chemische & physikalische Eigenschaften
| XLogP | -2 |
|---|---|
| Polarare Oberfläche (TPSA) | 172 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 11 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 643 |
| Siedepunkt | 665.6±55.0 °C(Predicted) |
| Dichte | 1.51±0.1 g/cm3 (20 ºC 760 Torr) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Methanol (Slightly), Water (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.33±0.10(Predicted) |
| Farbe | Off-White to Pale Brown |
| Stabilität | Hygroscopic |
| Hauptanwendungen | food and beverages |
| InChIKey | XSCVKBFEPYGZSL-JYVCFIOWSA-N |
| SMILES | O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H]2OC=C([C@H](\C\2=C/C)CC(=O)O)C(=O)OC |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
11-Methyloleoside is a secoiridoid glucoside isolated from the seeds of Fraxinus excelsior that shows differential antiinflammatory activities in LPS-treated mouse macrophage and anticancer effects in human cancer cell. 11-Methyloleoside is also a useful synthetic intermediate in the synthesis of Ligustroside (L397960).