Pinnatifidin
(3aR,4aR,8aS,9aR)-5,8a-dimethyl-3-methylidene-3a,4,4a,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,7-dione
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.3 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 35730-85-9 |
|---|---|
| SMILES | CC1=CC(=O)CC2(C1CC3C(C2)OC(=O)C3=C)C |
| InChIKey | VTEFIBXQBGMXNK-QVHKTLOISA-N |
📖 Product Overview
Pinnatifidin (CAS: 35730-85-9) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.3 g/mol. Its IUPAC systematic name is (3aR,4aR,8aS,9aR)-5,8a-dimethyl-3-methylidene-3a,4,4a,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,7-dione.
VTEFIBXQBGMXNK-QVHKTLOISA-N.
SMILES: CC1=CC(=O)CC2(C1CC3C(C2)OC(=O)C3=C)C.
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