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)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate
Structure Info
- Chemspace ID
- CSSB00160998399 (In-Stock Building Blocks)
- IUPAC Name
- 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)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate
- Mol formula
- C27H36O12
- Mol weight
- 553 Da
- Catalog Number(s)
- AT15552, ArZ-UP484215, BBP03211, CFN96298, CSC160998399, FS-10554, TN3530, X212089, ZX-CY005991
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -0.41
- Heavy atoms count
- 39
- Rotatable bond count
- 6
- Number of rings
- 5
- Carbon bond saturation, Fsp3
- 0.703
- Polar surface area (Å)
- 185
- Hydrogen bond acceptors count
- 9
- Hydrogen bond donors count
- 5
![Chemical structure of 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)oxan-2-yl]oxy}-1H,2H,4H,4aH,5H,6H,6aH,9H,10H,10aH,10bH-naphtho[2,1-c]pyran-7-carboxylate (C27H36O12) - CSSB00160998399](/st/structure/200/800858bdc97e735c449b26b53175b2b1/COC%2528%253DO%2529C1%253DC%255BC%2540H%255D%2528O%2529C%255BC%2540H%255D2%255BC%2540%255D3%2528C%2529C%255BC%2540H%255D%2528OC%2528%253DO%2529%255BC%2540H%255D3C%255BC%2540H%255D%2528O%255BC%2540%2540H%255D3O%255BC%2540H%255D%2528CO%2529%255BC%2540%2540H%255D%2528O%2529%255BC%2540H%255D%2528O%2529%255BC%2540H%255D3O%2529%255BC%2540%2540%255D12C%2529C1%253DCOC%253DC1.png "C27H36O12")
- Zoom the structure
- CSSB00160998399
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| Advanced ChemBlocks CN | 10 days | China To: | 97 | 5 mg | 1,210.00 | |
| Advanced ChemBlocks CN | 10 days | China To: | 97 | 25 mg | 3,630.00 | |
Description: Borapetoside B; CAS: 104901-05-5 | ||||||
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