Flexuosin B
[(1S,3aR,5R,5aS,6S,8aR,9S,9aR)-6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate
| Molecular Formula | C20H28O6 |
|---|---|
| Molecular Weight | 364.4 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 89.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.1886 |
| Heavy Atoms | 26 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 6805-36-3 |
|---|---|
| SMILES | CC1CC2C(C(C(=O)O2)C)C(C3(C1C(CC3=O)O)C)OC(=O)C=C(C)C |
| InChIKey | NVWSHXGIQXQTBM-SLLDRMNISA-N |
📖 Product Overview
Flexuosin B (CAS: 6805-36-3) is a chemical compound with molecular formula C20H28O6 and molecular weight 364.4 g/mol. Its IUPAC systematic name is [(1S,3aR,5R,5aS,6S,8aR,9S,9aR)-6-hydroxy-1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,6,7,9,9a-octahydro-1H-azuleno[6,5-b]furan-9-yl] 3-methylbut-2-enoate.
NVWSHXGIQXQTBM-SLLDRMNISA-N.
SMILES: CC1CC2C(C(C(=O)O2)C)C(C3(C1C(CC3=O)O)C)OC(=O)C=C(C)C.
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