Account Aloenin B
- Catalog No. :
- ACGQIL248
- CAS No. :
- 106533-41-9
- Molecular Formula :
- C34H38O17
- Molecular Weight :
- 718.66
IUPAC Name:(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenoxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate
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Product Information
| Product Name | Aloenin B |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenoxy)tetrahydro-2H-pyran-3-yl (E)-3-(4-hydroxyphenyl)acrylate |
| MDL No. | MFCD00865325 |
| Molecular Formula | C34H38O17 |
| Molecular Weight | 718.66 |
| SMILES | O=C(O[C@H]1[C@H](OC2=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC(C)=C2C(O4)=CC(OC)=CC4=O)O[C@H](CO)[C@@H](O)[C@@H]1O)/C=C/C5=CC=C(O)C=C5 |
| InChI Key | IZBGWXJOIXZDBF-WLFSTHIVSA-N |
| Synonym | 2H-Pyran-2-one, 6-[4-(β-D-glucopyranosyloxy)-2-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-6-methylphenyl]-4-methoxy-;Aloenin B;2H-Pyran-2-one, 6-[4-(b-D-glucopyranosyloxy)-2-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-6-methylphenyl]-4-methoxy-(9CI) |
| CAS No. | 106533-41-9 |
Synthetic Route by SureRoute
2. ACGQIL248 Molecular Building Block Synthetic Route
(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
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