Account 7α-Galloyloxysweroside
- Catalog No. :
- ACWJTX559
- CAS No. :
- 2222365-76-4
- Molecular Formula :
- C23H26O14
- Molecular Weight :
- 526.45
IUPAC Name:(3R,4aS,5R,6S)-1-oxo-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-3-yl 3,4,5-trihydroxybenzoate
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Product Information
| Product Name | 7α-Galloyloxysweroside |
|---|---|
| IUPAC Name | (3R,4aS,5R,6S)-1-oxo-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-3-yl 3,4,5-trihydroxybenzoate |
| Molecular Formula | C23H26O14 |
| Molecular Weight | 526.45 |
| SMILES | C(=C)[C@@H]1[C@]2(C(C(=O)O[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)C2)=CO[C@H]1O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[H] |
| InChI Key | ZZPYUMARYUNGIK-UOROHSSLSA-N |
| Synonym | 7α-Galloyloxysweroside;Benzoic acid, 3,4,5-trihydroxy-, (3S,4aS,5R,6S)-5-ethenyl-6-(β-D-glucopyranosyloxy)-4,4a,5,6-tetrahydro-1-oxo-1H,3H-pyrano[3,4-c]pyran-3-yl ester |
| CAS No. | 2222365-76-4 |
Synthetic Route by SureRoute
2. ACWJTX559 Molecular Building Block Synthetic Route
7β-Galloyloxysweroside
(2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-4-[2-[(3,4,5-trihydroxybenzoyl)oxy]ethyl]-2H-pyran-5-carboxylic acid methyl ester
(1S,4AS,6R,7R,7aS)-6-((3-hydroxybenzoyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid