HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 490367Erstellt: 3. November 2026
19Alpha-Hydroxyasiatic Acid
19α-Hydroxyasiatic acid · 23-Hydroxytormentic acid · 23-Hydroxytormentic acid >=95% (LC/MS-ELSD) · 19α-Hydroxyasiatic acid（2α,19,23-Trihydroxyursolic acid） · Urs-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2α,3β,4α)-
https://huagongshe.com/de/chemical/490367
Identifikatoren & physikalische Daten
| CAS No. | 70868-78-9 |
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| Summenformel | C30H48O6 |
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| Durchschnittliche Molmasse | 504,7 g/mol |
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| Monoisotopische Masse | 504,34508925 g/mol |
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| SMILES | C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O |
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| InChIKey | YCOKATFNRPZIIU-NIZSJLHKSA-N |
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| PubChem CID | 490367 |
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| ChEMBL | CHEMBL515920 |
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| ChEBI | CHEBI:67915 |
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| EC No. | 804-195-0 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
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| Polarare Oberfläche (TPSA) | 118 |
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| H-Brücken-Donoren | 5 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 36 |
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| Formalladung | 0 |
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| Komplexität | 978 |
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| Schmelzpunkt | 282-284 °C |
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| Siedepunkt | 639.3±55.0 °C(Predicted) |
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| Dichte | 1.23±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | -20°C |
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| Aggregatzustand | Solid |
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| pKa (Säurekonstante) | 4.46±0.70(Predicted) |
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| Farbe | White to off-white |
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| Hauptanwendungen | metabolomicsvitamins, nutraceuticals, and natural products |
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| InChIKey | YCOKATFNRPZIIU-NIZSJLHKSA-N |
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| SMILES | C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 Oral |
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