Account (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACQOTN594
- CAS No. :
- 38482-81-4
- Molecular Formula :
- C21H18O11
- Molecular Weight :
- 446.36
IUPAC Name:(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
| MDL No. | MFCD24849233 |
| Molecular Formula | C21H18O11 |
| Molecular Weight | 446.36 |
| SMILES | O=C1C(C2=CC=C(O)C=C2)=COC3=C1C(O)=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](C(O)=O)O4)O)O)O)=C3 |
| InChI Key | JIVINIISUDEORF-ZFORQUDYSA-N |
| Synonym | Genistein 7-β-D-Glucuronide;5-Hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid;Genistein-7-O-glucuronide;Genistein-β-D-Glucuronide;β-D-Glucopyranosiduronic acid, 5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl;Genistein 7-Beta-D-Glucuronide;Genistein 7-|A-D-Glucuronide;Genistein 7-β-D-Glucuronide |
| CAS No. | 38482-81-4 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Synthetic Route by SureRoute
2. ACQOTN594 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
Genistein Diglucuronide
(2S,3S,4S,5R,6S)-6-(4-(5,7-Dihydroxy-4-oxo-4H-chromen-3-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid