Balduilin
[(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate
| Molecular Formula | C17H20O5 |
|---|---|
| Molecular Weight | 304.34 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 69.7 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.13107 |
| Heavy Atoms | 22 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 6895-47-2 |
|---|---|
| SMILES | CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2 |
| InChIKey | DCNRYQODUSSOKC-CXKORZBMSA-N |
📖 Product Overview
Balduilin (CAS: 6895-47-2) is a chemical compound with molecular formula C17H20O5 and molecular weight 304.34 g/mol. Its IUPAC systematic name is [(3aR,5S,5aR,8aR,9R,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] acetate.
DCNRYQODUSSOKC-CXKORZBMSA-N.
SMILES: CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2.
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