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HCID 93039Erstellt: 31. Oktober 2026
1a(S)α,1bβ,2β,5aβ,6β,6aα-Hexahydro-6-[(4-hydroxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-β-D-glucopyranosid
CATALPOSIDE · CATALPIN · Einecs 229-789-1 · hydroxybenzoylcatalpol · ,2-beta,5a-beta,6-beta,6a-alpha))- · beta-d-glucopyranoside,1a,1b,2,5a,6,6a-hexahydro-6-((4-hydroxybenzoyl)oxy)-1a · -(hydroxymethyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl,(1as-(1a-alpha,1b-beta · 1aβ,1bα,2β,5aα,6β,6aβ-Hexahydro-6-[(4-hydroxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside
https://huagongshe.com/de/chemical/93039
![Molekülstruktur von 1a(S)α,1bβ,2β,5aβ,6β,6aα-Hexahydro-6-[(4-hydroxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-β-D-glucopyranosid](/img/chemical/93039.png)
Identifikatoren & physikalische Daten
| CAS No. | 6736-85-2 |
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| Summenformel | C22H26O12 |
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| Durchschnittliche Molmasse | 482,4 g/mol |
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| Monoisotopische Masse | 482,14242626 g/mol |
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| SMILES | O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1 |
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| InChIKey | UXSACQOOWZMGSE-RWORTQBESA-N |
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| PubChem CID | 93039 |
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| ChEMBL | CHEMBL2332354 |
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| EC No. | 229-789-1 |
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| DTXSID | DTXSID30986621 |
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| Lokaler Name | 1a(S)α,1bβ,2β,5aβ,6β,6aα-Hexahydro-6-[(4-hydroxybenzoyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl-β-D-glucopyranosid |
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Chemische & physikalische Eigenschaften
| XLogP | -1,3 |
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| Polarare Oberfläche (TPSA) | 188 |
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| H-Brücken-Donoren | 6 |
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| H-Brücken-Akzeptoren | 12 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 34 |
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| Formalladung | 0 |
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| Komplexität | 784 |
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| Endocrine Disruptors | Potential endocrine disrupting compound |
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| Schmelzpunkt | 215-216.5° |
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| Siedepunkt | 766.3±60.0 °C(Predicted) |
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| Dichte | 1.68±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | -20°C |
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| Löslichkeit | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
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| Aggregatzustand | Powder |
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| pKa (Säurekonstante) | 8.03±0.15(Predicted) |
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| Farbe | White to yellow |
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Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29389090 |
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