Account (2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,4-Dihydroxyphenyl)-3,7-dihydroxychroman-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACNZDU831
- CAS No. :
- 223614-70-8
- Molecular Formula :
- C21H22O12
- Molecular Weight :
- 466.39
IUPAC Name:(2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,4-Dihydroxyphenyl)-3,7-dihydroxychroman-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxychroman-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C21H22O12 |
| Molecular Weight | 466.39 |
| SMILES | O=C([C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2=CC(O)=CC3=C2C[C@@H](O)[C@@H](C4=CC=C(O)C(O)=C4)O3)O1)O |
| InChI Key | KGLMKAPOVXBIJB-CVPXIJHMSA-N |
| Synonym | Epicatechin 5-O-β-D-glucuronide;β-D-Glucopyranosiduronic acid, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,7-dihydroxy-2H-1-benzopyran-5-yl |
| CAS No. | 223614-70-8 |
Synthetic Route by SureRoute
2. ACNZDU831 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((2R,3S)-2-(3,4-Dihydroxyphenyl)-3,7-dihydroxychroman-5-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(((2R,3R)-2-(3,4-Dihydroxyphenyl)-3,7-dihydroxychroman-5-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(((2R,3S)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxychroman-7-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol