Account Bergenin monohydrate
- Catalog No. :
- ACDBVI496
- CAS No. :
- 108032-11-7
- Molecular Formula :
- C14H18O10
- Molecular Weight :
- 346.29
IUPAC Name:(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one hydrate
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Product Information
| Product Name | Bergenin monohydrate |
|---|---|
| IUPAC Name | (2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one hydrate |
| MDL No. | MFCD00167248 |
| Molecular Formula | C14H18O10 |
| Molecular Weight | 346.29 |
| SMILES | [H]O[H].OC1=C2[C@@]3([H])[C@]([C@H]([C@@H]([C@H](O3)CO)O)O)([H])OC(C2=CC(O)=C1OC)=O |
| InChI Key | QCWSXSAFDSGKAT-YOKSUNLASA-N |
| Synonym | BERGENIN MONOHYDRATE, 98;(2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-2,3,4,4a-tetrahydropyrano[3,2-c]isochromen-6(10bH)-one hydrate;Bergenin monohydrate |
| CAS No. | 108032-11-7 |
Synthetic Route by SureRoute
2. ACDBVI496 Molecular Building Block Synthetic Route
(2R,3S,4S,4aR,10bS)-3,4,8,10-Tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydropyrano[3,2-c]isochromen-6(2H)-one
((2R,3S,4S,4aR,10bS)-3,4,8,10-tetrahydroxy-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-2-yl)methyl 3,4,5-trihydroxybenzoate
3,8,10-trihydroxy-2-(hydroxymethyl)-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-4-yl 3,4,5-trihydroxybenzoate