Account 3-(((2S,3R,4S,5S,6R)-6-((2-carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium
- Catalog No. :
- ACUMBB480
- CAS No. :
- 165070-68-8
- Molecular Formula :
- C24H23O13+
- Molecular Weight :
- 519.43
IUPAC Name:3-(((2S,3R,4S,5S,6R)-6-((2-carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium
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Product Information
| Product Name | 3-(((2S,3R,4S,5S,6R)-6-((2-carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium |
|---|---|
| IUPAC Name | 3-(((2S,3R,4S,5S,6R)-6-((2-carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium |
| Molecular Formula | C24H23O13+ |
| Molecular Weight | 519.43 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI Key | XLZUBCUKXQFBKB-JZWLZXDTSA-O |
| Synonym | pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside);Pelargonidin 3-O-[6-O-malonyl]-glucoside;Pelargonidin 3-(6′′-malonylglucoside);Pelargonidin-3-O-(6-(malonyl)-glucoside);Pelargonidin 3-O-6-O-malonyl]-glucoside chloride |
| CAS No. | 165070-68-8 |
Synthetic Route by SureRoute
2. ACUMBB480 Molecular Building Block Synthetic Route
3-(((2S,3R,4S,5S,6R)-6-((2-Carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium
Callistephin
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride