Account methyl (1S,4R,5S,5aS,9aR)-5-((R)-2-(furan-3-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate
- Catalog No. :
- ACJGLI598
- CAS No. :
- 151200-49-6
- Molecular Formula :
- C27H36O11
- Molecular Weight :
- 536.57
IUPAC Name:methyl (1S,4R,5S,5aS,9aR)-5-((R)-2-(furan-3-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate
![methyl (1S,4R,5S,5aS,9aR)-5-((R)-2-(furan-3-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | methyl (1S,4R,5S,5aS,9aR)-5-((R)-2-(furan-3-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate |
|---|---|
| IUPAC Name | methyl (1S,4R,5S,5aS,9aR)-5-((R)-2-(furan-3-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate |
| Molecular Formula | C27H36O11 |
| Molecular Weight | 536.57 |
| SMILES | COC(=O)C1=CCC[C@H]2[C@](C)(C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C3=COC=C3)[C@H]3C[C@H](OC3=O)[C@@]12C |
| InChI Key | ZXGKLWUOGQDOTD-IYIXDXQLSA-N |
| Synonym | Borapetoside E;1,4-Methano-2-benzoxepin-9-carboxylic acid, 5-[(2S)-2-(3-furanyl)-2-(β-D-glucopyranosyloxy)ethyl]-1,3,4,5,5a,6,7,9a-octahydro-5,9a-dimethyl-3-oxo-, methyl ester, (1S,4R,5S,5aS,9aR)- |
| CAS No. | 151200-49-6 |
Synthetic Route by SureRoute
2. ACJGLI598 Molecular Building Block Synthetic Route
methyl (1S,4R,5S,5aS,9aR)-5-((R)-2-(furan-3-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate
methyl (2S,4aS,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate
methyl (2S,4aS,6S,6aR,9R,10aS,10bS)-2-(furan-3-yl)-6-hydroxy-6a,10b-dimethyl-4-oxo-9-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-2H-benzo[f]isochromene-7-carboxylate