Account Baicalein 7-O-β-D-ethylglucuronide
- Catalog No. :
- ACCXST693
- CAS No. :
- 675624-38-1
- Molecular Formula :
- C23H22O11
- Molecular Weight :
- 474.42
IUPAC Name:ethyl (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
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Product Information
| Product Name | Baicalein 7-O-β-D-ethylglucuronide |
|---|---|
| IUPAC Name | ethyl (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate |
| Molecular Formula | C23H22O11 |
| Molecular Weight | 474.42 |
| SMILES | OC(C(O)=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(OCC)=O)O1)C=C2OC(C3=CC=CC=C3)=C4)=C2C4=O |
| InChI Key | RXRRNRCBAAZTNY-KHYDEXNFSA-N |
| Synonym | Baicalein 7-O-beta-D-ethylglucuronide;ethyl (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylate;β-D-Glucopyranosiduronic acid, 5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl, ethyl ester |
| CAS No. | 675624-38-1 |
Synthetic Route by SureRoute
2. ACCXST693 Molecular Building Block Synthetic Route
BEC2
Methyl (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
(2S,3S,4S,5R,6S)-Methyl 6-((5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate