Account Methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a-hydroxy-7-methyl-5-((3-phenylacryloyl)oxy)-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
- Catalog No. :
- ACWRBU912
- CAS No. :
- 1246012-25-8
- Molecular Formula :
- C28H34O14
- Molecular Weight :
- 594.57
IUPAC Name:methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a-hydroxy-7-methyl-5-((3-phenylacryloyl)oxy)-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
![Methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a-hydroxy-7-methyl-5-((3-phenylacryloyl)oxy)-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | Methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a-hydroxy-7-methyl-5-((3-phenylacryloyl)oxy)-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 |
|---|---|
| IUPAC Name | methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a-hydroxy-7-methyl-5-((3-phenylacryloyl)oxy)-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 |
| Molecular Formula | C28H34O14 |
| Molecular Weight | 594.57 |
| 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]2[C@]1(O)[C@H](OC(=O)C=CC1=CC=CC=C1)C[C@]2(C)OC(C)=O |
| InChI Key | IMFOXIVSWVZHOK-KFRRJYRGSA-N |
| Synonym | 6-O-trans-Cinnamoylphlorigidoside B;Cyclopenta[c]pyran-4-carboxylic acid, 7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-methyl-5-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]-, methyl ester, (1S,4aR,5R,7S,7aS)- |
| CAS No. | 1246012-25-8 |
Synthetic Route by SureRoute
2. ACWRBU912 Molecular Building Block Synthetic Route
methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-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
methyl (1S,4aR,6S,7R,7aS)-4a,7-dihydroxy-6-(((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
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