Alantolactone
(3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.32 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 546-43-0 |
|---|---|
| SMILES | CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C |
| InChIKey | PXOYOCNNSUAQNS-AGNJHWRGSA-N |
📖 Product Overview
Alantolactone (CAS: 546-43-0) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.32 g/mol. Its IUPAC systematic name is (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one.
PXOYOCNNSUAQNS-AGNJHWRGSA-N.
SMILES: CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C.
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