Account methyl (1S,4R,5S,5aS,9aR)-5-((2S)-2-hydroxy-2-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate
- Catalog No. :
- ACRCYW325
- CAS No. :
- 2244777-12-4
- Molecular Formula :
- C21H26O8
- Molecular Weight :
- 406.43
IUPAC Name:methyl (1S,4R,5S,5aS,9aR)-5-((2S)-2-hydroxy-2-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)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-((2S)-2-hydroxy-2-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)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-((2S)-2-hydroxy-2-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)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-((2S)-2-hydroxy-2-(2-hydroxy-5-oxo-2,5-dihydrofuran-3-yl)ethyl)-5,9a-dimethyl-3-oxo-1,3,4,5,5a,6,7,9a-octahydro-1,4-methanobenzo[c]oxepine-9-carboxylate |
| Molecular Formula | C21H26O8 |
| Molecular Weight | 406.43 |
| SMILES | COC(=O)C1=CCC[C@H]2[C@](C)(C[C@H](O)C3=CC(=O)OC3O)[C@H]3C[C@H](OC3=O)[C@@]12C |
| InChI Key | IWQROARLUZNGTO-VUSLHQQSSA-N |
| Synonym | Tinosporol A |
| CAS No. | 2244777-12-4 |
Synthetic Route by SureRoute
2. ACRCYW325 Molecular Building Block Synthetic Route
(4R,4aR,8aR,9aS)-4,9a-dihydroxy-3,5,8a-trimethyl-4,4a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2,7-dione
(1R,4S,5aS,9aS)-1,4-dihydroxy-6,6,9a-trimethyl-4,5,5a,6,7,8,9,9a-octahydronaphtho[1,2-c]furan-3(1H)-one
Cajucarinolide