Account 5-(((2S,3R,4S,5S,6R)-6-((2-Carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-((((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)methyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenylium
- Catalog No. :
- ACROBE171
- CAS No. :
- 218963-77-0
- Molecular Formula :
- C46H51O26+
- Molecular Weight :
- 1019.89
IUPAC Name:5-(((2S,3R,4S,5S,6R)-6-((2-carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-((((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)methyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenylium
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Product Information
| Product Name | 5-(((2S,3R,4S,5S,6R)-6-((2-Carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-((((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)methyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenylium |
|---|---|
| IUPAC Name | 5-(((2S,3R,4S,5S,6R)-6-((2-carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-((((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)methyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenylium |
| Molecular Formula | C46H51O26+ |
| Molecular Weight | 1019.89 |
| SMILES | O(C=1C2=C([O+]=C(C(O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C5=CC(OC)=C(O)C=C5)=O)O3)=C2)C6=CC=C(O)C=C6)C=C(O)C1)[C@@H]7O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]7O |
| InChI Key | XGPCPGROCKPKCA-HYXCUFBPSA-O |
| Synonym | Pelargonidin 3-O-[6-O-(E)-Ferulyl-2-O-β-D-glucoside}-β-D-glucoside]-5-O-(6-O-malonyl）-β-D-glucoside;pelargonidin-3-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl-2-O-β-D-glucopyranosyl]-β-D-glucopyranosyl]-5-O-[6-O-(carboxyacetyl)]-β-D-glucopyranosyl;Pelargonidin 3-O-6-O-(E)-Ferulyl-2-O-glucoside}-glucoside]-5-O-(6-O-malonyl)-glucoside chloride |
| CAS No. | 218963-77-0 |
Synthetic Route by SureRoute
2. ACROBE171 Molecular Building Block Synthetic Route
5-(((2S,3R,4S,5S,6R)-6-((2-carboxyacetoxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenylium
3-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-3-(((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium
3-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((E)-3-(4-hydroxy-3-methoxyphenyl)acryloyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium