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Saikosaponin A
β-D-Galactopyranoside · SAIKOSAPONIN A · Saikosaponian A · SAILKOSAPONIN A · SAILKOSAPONINS A · Thesaikosaponin A · Saikosaponin A-RM · SAIKOSAPONIN A(RG)
Identifikatoren & physikalische Daten
| CAS No. | 20736-09-8 |
|---|---|
| Summenformel | C42H68O13 |
| Durchschnittliche Molmasse | 781 g/mol |
| Monoisotopische Masse | 780,46599222 g/mol |
| SMILES | C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=C[C@]35OC[C@@]6(CCC(C)(C)C[C@H]63)[C@@H](O)C[C@]54C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| InChIKey | KYWSCMDFVARMPN-MSSMMRRTSA-N |
| PubChem CID | 167928 |
| ChEMBL | CHEMBL3542194 |
| ChEBI | CHEBI:8996 |
| EC No. | 633-799-5 |
| DTXSID | DTXSID00942951 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 208 |
| H-Brücken-Donoren | 8 |
| H-Brücken-Akzeptoren | 13 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 55 |
| Formalladung | 0 |
| Komplexität | 1.490 |
| Schmelzpunkt | 225~232℃ (dec.) |
| Siedepunkt | 893.7±65.0 °C(Predicted) |
| Dichte | 1.163~1.168 g/ml |
| Brechungsindex | 1.571~1.574 (20/D) |
| Lagerbedingungen | Hygroscopic, Refrigerator, under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Sonicated), Pyridine (Slightly) |
| pKa (Säurekonstante) | 12.83±0.70(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| Stabilität | Hygroscopic |
| Hauptanwendungen | food and beverages |
| InChIKey | KYWSCMDFVARMPN-FMIBPMOUSA-N |
| CAS Datenbank | 20736-09-8 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 29389090 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Saikosaponin A was shown to exhibit anti-inflammatory activities by suppressing activation of NF-kB signaling pathway.