Account (2S,3S,4S,5R,6S)-2-(Methoxycarbonyl)-6-((4-oxo-3-(4-(sulfooxy)phenyl)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
- Catalog No. :
- ACSZIA856
- CAS No. :
- 1041261-16-8
- Molecular Formula :
- C28H26O16S
- Molecular Weight :
- 650.57
IUPAC Name:(2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-((4-oxo-3-(4-(sulfooxy)phenyl)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
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Product Information
| Product Name | (2S,3S,4S,5R,6S)-2-(Methoxycarbonyl)-6-((4-oxo-3-(4-(sulfooxy)phenyl)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6S)-2-(methoxycarbonyl)-6-((4-oxo-3-(4-(sulfooxy)phenyl)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate |
| Molecular Formula | C28H26O16S |
| Molecular Weight | 650.57 |
| SMILES | O=S(OC1=CC=C(C2=COC3=C(C=CC(O[C@H]4[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C(OC)=O)O4)=C3)C2=O)C=C1)(O)=O |
| InChI Key | YLYDFNVTVUNKCE-YYDZWWTMSA-N |
| Synonym | Daidzein 7-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester 4'-Sulfate;3-(4-Hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-Glucopyranosiduronic Acid Methyl Ester 2,3,4-Triacetate 4'-Sulfate;4-Oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid 6-methyl ester 2,3,4-triacetate;β-D-Glucopyranosiduronic acid, 4-oxo-3-[4-(sulfooxy)phenyl]-4H-1-benzopyran-7-yl, 6-methyl ester, 2,3,4-triacetate;Daidzein 7-Tri-O-acetyl-β-D-glucuronic Acid Methyl Ester 4’-Sulfate |
| CAS No. | 1041261-16-8 |
Synthetic Route by SureRoute
2. ACSZIA856 Molecular Building Block Synthetic Route
Sodium (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-((4-oxo-3-(4-(sulfonatooxy)phenyl)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylate
(2S,3R,4S,5S,6S)-2-((3-(4-(hexanoyloxy)phenyl)-4-oxo-4H-chromen-7-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-((5-hydroxy-4-oxo-3-(4-(sulfooxy)phenyl)-4H-chromen-7-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid