Account 3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chloride
- Catalog No. :
- ACSCUB067
- CAS No. :
- 53158-73-9
- Molecular Formula :
- C26H29ClO16
- Molecular Weight :
- 632.96
IUPAC Name:3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chloride
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Product Information
| Product Name | 3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chloride |
|---|---|
| IUPAC Name | 3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium chloride |
| MDL No. | MFCD10566840 |
| Molecular Formula | C26H29ClO16 |
| Molecular Weight | 632.96 |
| SMILES | OC[C@H]1O[C@@H](OC2=C(C3=CC(O)=C(O)C(O)=C3)[O+]=C3C=C(O)C=C(O)C3=C2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.[Cl-] |
| InChI Key | BNDHUCYNCNEUSY-CPXTURKASA-N |
| Synonym | DELPHINIDIN-3-O-SAMBUBIOSIDE CHLORIDE;5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-3-[(2-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]-1-benzopyrylium chloride;Delphinidin 3-sambubioside chloride;DELPHINIDIN-3-O-SAMBUBIOSIDE CHLORIDE(RG);delphinidin 3-O-beta-D-sambubioside;Delphinidin 3-Sambubioside;DELPHINIDIN-3-O-SAMBUBIOSIDE CHLORIDE USP/EP/BP;delphinidin 3-O-β-D-sambubioside |
| CAS No. | 53158-73-9 |
| PubChem CID | 102004789 |
Synthetic Route by SureRoute
2. ACSCUB067 Molecular Building Block Synthetic Route
Delphinidin 3-diglucoside
3-(((2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-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 chloride
3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-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 chloride