Account (2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-(5-hydroxy-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate
- Catalog No. :
- ACGUSD683
- CAS No. :
- 106533-35-1
- Molecular Formula :
- C28H28O12
- Molecular Weight :
- 556.52
IUPAC Name:(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(5-hydroxy-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate
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Product Information
| Product Name | (2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-(5-hydroxy-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(5-hydroxy-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate |
| MDL No. | MFCD12031643 |
| Molecular Formula | C28H28O12 |
| Molecular Weight | 556.52 |
| SMILES | COC1=CC(=O)OC(C2=C(C)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)/C=C/C2=CC=C(O)C=C2)=C1 |
| InChI Key | AVKZBTISTJWNNL-MKNNQNITSA-N |
| Synonym | 2H-Pyran-2-one, 6-[4-hydroxy-2-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-6-methylphenyl]-4-methoxy-;aloenin-2"-p-coumaroyl ester;Aloenin-2''-p-coumaroyl ester;Aloenin-2'-p-coumaroyl ester |
| CAS No. | 106533-35-1 |
Safety Data
- Pictogram
- Signal Word
- Achtung
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACGUSD683 Molecular Building Block Synthetic Route
Aloenin B
6-(4-hydroxy-2-methyl-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-4-methoxy-2H-pyran-2-one
3-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-3-(((E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chromenylium