Account 3-(((2S,3R,4S,5S,6R)-6-((((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)methyl)-4,5-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium
- Catalog No. :
- ACCUQA291
- CAS No. :
- 185044-14-8
- Molecular Formula :
- C50H53O26+
- Molecular Weight :
- 1069.95
IUPAC Name:3-(((2S,3R,4S,5S,6R)-6-((((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)methyl)-4,5-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium
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Product Information
| Product Name | 3-(((2S,3R,4S,5S,6R)-6-((((E)-3-(3,4-Dihydroxyphenyl)acryloyl)oxy)methyl)-4,5-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium |
|---|---|
| IUPAC Name | 3-(((2S,3R,4S,5S,6R)-6-((((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)methyl)-4,5-dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(((4-hydroxybenzoyl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium |
| Molecular Formula | C50H53O26+ |
| Molecular Weight | 1069.95 |
| SMILES | COC1=C(O)C=CC(C2=[O+]C3=C(C=C2O[C@@H]2O[C@H](COC(=O)/C=C/C4=CC(O)=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](COC(=O)C4=CC=C(O)C=C4)[C@@H](O)[C@H](O)[C@H]2O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C3)=C1 |
| InChI Key | DYZALFMOLIKHGK-DIIXACDFSA-O |
| Synonym | Peonidin-3-O-[6-O-(E)-Caffeoyl-2-O-{6-O-P-Hydroxybenzoyl-β-D-glucoside}-β-D-glucoside]-5-O-β-D-glucoside;Peonidin 3-(caffeoyl-p-hydroxybenzoylsophoroside) 5-glucoside;Peonidin-3-O-6-O-(E)-Caffeoyl-2-O-{6-O-P-Hydroxybenzoyl-glucoside}-glucoside-5-O-glucoside chloride |
| CAS No. | 185044-14-8 |
Synthetic Route by SureRoute
2. ACCUQA291 Molecular Building Block Synthetic Route
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
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