Account Methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-((3-(4-hydroxyphenyl)acryloyl)oxy)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
- Catalog No. :
- ACQAHI622
- CAS No. :
- 83946-90-1
- Molecular Formula :
- C26H30O13
- Molecular Weight :
- 550.51
IUPAC Name:methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-((3-(4-hydroxyphenyl)acryloyl)oxy)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
![Methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-((3-(4-hydroxyphenyl)acryloyl)oxy)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-((3-(4-hydroxyphenyl)acryloyl)oxy)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
|---|---|
| IUPAC Name | methyl (1S,4aS,5R,7aS)-7-(hydroxymethyl)-5-((3-(4-hydroxyphenyl)acryloyl)oxy)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate |
| Molecular Formula | C26H30O13 |
| Molecular Weight | 550.51 |
| SMILES | COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](OC(=O)C=CC3=CC=C(O)C=C3)[C@H]12 |
| InChI Key | ABYPZHZWILXERF-TVGGGHQWSA-N |
| Synonym | Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-5-[[3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, methyl ester, (1S,4aS,5R,7aS)-;6-O-p-Coumaroylscandosidemethylester |
| CAS No. | 83946-90-1 |
Synthetic Route by SureRoute
2. ACQAHI622 Molecular Building Block Synthetic Route
10-O-Coumaroyl-10-O-deacetylasperuloside
methyl (1R,4aR,5R,7aR)-7-(((3-(3,4-dihydroxyphenyl)acryloyl)oxy)methyl)-5-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
methyl (1S,4aS,5R,7S,7aS)-7-hydroxy-5-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate