Account 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
- Catalog No. :
- ACYVRC977
- CAS No. :
- 1221178-16-0
- Molecular Formula :
- C27H34O12
- Molecular Weight :
- 550.56
IUPAC Name: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,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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 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 |
|---|---|
| IUPAC Name | 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 |
| MDL No. | MFCD28009411 |
| Molecular Formula | C27H34O12 |
| Molecular Weight | 550.56 |
| SMILES | COC(=O)C1=C[C@H](O)C[C@@H]2[C@@]1(C)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C1C(=O)O[C@H](C3=COC=C3)C[C@]12C |
| InChI Key | CGKGCFDWGXCUDW-CGNVXPGMSA-N |
| Synonym | Dehydroborapetoside B;(2S,6S,6aR,9R,10aS,10bS)-2-(3-Furanyl)-6-(beta-D-glucopyranosyloxy)-1,4,6,6a,9,10,10a,10b-octahydro-9-hydroxy-6a,10b-dimethyl-4-oxo-2H-naphtho[2,1-c]pyran-7-carboxylic acid methyl ester;(2R,5R,6S,9S,10S,12S)-15,16-epoxy-2-hydroxy-6-O-(β-D-glucopyranosyl)-cleroda-3,7,13(16),14-tetraen-17,12-olid-18-oic acid methyl ester;2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-6-(β-D-glucopyranosyloxy)-1,4,6,6a,9,10,10a,10b-octahydro-9-hydroxy-6a,10b-dimethyl-4-oxo-, methyl ester, (2S,6S,6aR,9R,10aS,10bS)- |
| CAS No. | 1221178-16-0 |
Synthetic Route by SureRoute
2. ACYVRC977 Molecular Building Block Synthetic Route
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
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)-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