Account (1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
- Catalog No. :
- ACADBN023
- CAS No. :
- 50932-19-9
- Molecular Formula :
- C24H28O13
- Molecular Weight :
- 524.47
IUPAC Name:(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
![(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(3,4-dihydroxyphenyl)acrylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(3,4-dihydroxyphenyl)acrylate |
|---|---|
| IUPAC Name | (1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(3,4-dihydroxyphenyl)acrylate |
| Molecular Formula | C24H28O13 |
| Molecular Weight | 524.47 |
| SMILES | O=C(/C=C/C1=CC(O)=C(O)C=C1)O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12 |
| InChI Key | MZQXNUBTVLKMLP-QOEJBJAYSA-N |
| Synonym | [(1aS)-6α-[[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1a,1bα,2,5aα,6,6aβ-hexahydro-1a-hydroxymethyloxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside;Verminoside;Vermiside;Caffeoyl catalpol;Catalpol 6-caffeate;β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl;(1aS)-6α-[[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1a,1bα,2,5aα,6,6aβ-hexahydro-1a-hydroxymethyloxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside |
| CAS No. | 50932-19-9 |
Synthetic Route by SureRoute
2. ACADBN023 Molecular Building Block Synthetic Route
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(4-hydroxyphenyl)acrylate
(1AS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(3-hydroxy-4-methoxyphenyl)acrylate
(1aS,1bS,2S,5aR,6S,6aS)-1a-(hydroxymethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1a,1b,2,5a,6,6a-hexahydrooxireno[2',3':4,5]cyclopenta[1,2-c]pyran-6-yl (E)-3-(4-hydroxy-3-methoxyphenyl)acrylate