Account 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
- Catalog No. :
- ACRRWP354
- CAS No. :
- 1246012-26-9
- Molecular Formula :
- C26H32O13
- Molecular Weight :
- 552.53
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C26H32O13 |
| Molecular Weight | 552.53 |
| 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@@H]1[C@H](OC(=O)/C=C/C1=CC=C(O)C=C1)C[C@]2(C)O |
| InChI Key | ZGUUHRZMAAUFHL-OKHNFGPGSA-N |
| Synonym | 6-O-trans-p-Coumaroylshanzhiside methyl ester;6-O-TRANS-P-COUMAROYLSHANZHISIDE;Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-hydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-7-methyl-, methyl ester, (1S,4aS,5R,7S,7aS)- |
| CAS No. | 1246012-26-9 |
Synthetic Route by SureRoute
2. ACRRWP354 Molecular Building Block Synthetic Route
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,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
(1S,4AS,7S,7aS)-7-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)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-carboxylic acid