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-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
- Catalog No. :
- ACRRIN169
- CAS No. :
- 218963-76-9
- Molecular Formula :
- C45H49O25+
- Molecular Weight :
- 989.86
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-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
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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-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 |
|---|---|
| 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-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 |
| Molecular Formula | C45H49O25+ |
| Molecular Weight | 989.86 |
| SMILES | O=C(O)CC(=O)OC[C@H]1O[C@@H](OC2=C3C=C(O[C@@H]4O[C@H](COC(=O)/C=C/C5=CC=C(O)C=C5)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C4=CC=C(O)C=C4)=[O+]C3=CC(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI Key | MEMCAMOQDXSLTL-MKSLPENWSA-O |
| Synonym | Pelargonidin 3-O-[6-O-(E)-P-coumarin-2-O-β-D-glucoside}-β-D-glucoside]-5-O-(6-O-malonyl）-β-D-glucoside;pelargonidin-3-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl-2-O-β-D-glucopyranosyl]-β-D-glucopyranosyl]-5-[6-O-(2-carboxyacetyl)]-β-D-glucopyranosyl;Pelargonidin 3-O-6-O-(E)-P-coumarin-2-O-glucoside}-glucoside]-5-O-(6-O-malonyl)-glucoside chloride |
| CAS No. | 218963-76-9 |
Synthetic Route by SureRoute
2. ACRRIN169 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-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
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)-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
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