Account 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
- Catalog No. :
- ACQRZP025
- CAS No. :
- 2244777-15-7
- Molecular Formula :
- C27H36O12
- Molecular Weight :
- 552.57
IUPAC Name: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
![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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| Molecular Formula | C27H36O12 |
| Molecular Weight | 552.57 |
| SMILES | COC(=O)C1=C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@]3(C)C[C@@H](C4=COC=C4)OC(=O)[C@H]3C[C@H](O)[C@@]12C |
| InChI Key | RLDBFEYEGMFZOM-RPAZSMEJSA-N |
| Synonym | Tinosporoside A |
| CAS No. | 2244777-15-7 |
Synthetic Route by SureRoute
2. ACQRZP025 Molecular Building Block Synthetic Route
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,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)-1,4,6,6a,9,10,10a,10b-octahydro-2H-benzo[f]isochromene-7-carboxylate
methyl (2S,6S,6aR,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4,6,6a,9,10,10a,10b-octahydro-2H-benzo[f]isochromene-7-carboxylate