Account 3-(((2S,3R,4S,5S,6R)-6-((((2R,3R,4S,5R,6S)-3,4-Dihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
- Catalog No. :
- ACESXT631
- CAS No. :
- 69915-09-9
- Molecular Formula :
- C43H49ClO23
- Molecular Weight :
- 969.29
IUPAC Name:3-(((2S,3R,4S,5S,6R)-6-((((2R,3R,4S,5R,6S)-3,4-dihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride
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Product Information
| Product Name | 3-(((2S,3R,4S,5S,6R)-6-((((2R,3R,4S,5R,6S)-3,4-Dihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride |
|---|---|
| IUPAC Name | 3-(((2S,3R,4S,5S,6R)-6-((((2R,3R,4S,5R,6S)-3,4-dihydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium chloride |
| Molecular Formula | C43H49ClO23 |
| Molecular Weight | 969.29 |
| SMILES | COC1=C(O)C(O)=CC(C2=C(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](OC(=O)/C=C/C5=CC=C(O)C=C5)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)C=C3C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC(O)=CC3=[O+]2)=C1.[Cl-] |
| InChI Key | DJFIFVQDAVMXSM-JMWCUXORSA-N |
| Synonym | Petunidin 3-Rutinoside(Trans-p-coumarin)-5- glucoside;Petunidin-3-O-rutinoside(trans-pcoumarin)-5-O-glucoside chloride;Petunidin 3-rutinoside (p-coumarin)-5-glucoside;2-(3,4-dihydroxy-5-methoxyphenyl)-5-(D-glucopyranosyloxy)-7-hydroxychromenium-3-yl 6-O-{6-deoxy-4-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-L-mannopyranosyl}-D-glucopyranoside chloride |
| CAS No. | 69915-09-9 |
Synthetic Route by SureRoute
2. ACESXT631 Molecular Building Block Synthetic Route
Nasunin
Petunidin-3-O-(6-O-p-coumaryl)-5-O-diglucoside
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