Isohelenalin
(3aR,5R,5aR,8aR,9S)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3aH-azuleno[6,7-b]furan-2,8-dione
Also Known As: Isohelenalin|KST-1A5777|(4s,4ar,7ar,8r,9ar)-4-hydroxy-3,4a,8-trimethyl-4,4a,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2,5-dione|(3aR,5R,5aR,8aR,9S)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3aH-azuleno[6,7-b]furan-2,8-dione|Azuleno(6,5-b)furan-2,5-dione, 4,4a,7a,8,9,9a-hexahydro-4-hydroxy-3,4a,8-trimethyl-, (4S-(4alpha,4abeta,7aalpha,8alpha,9aalpha))-|(3aR,5R,5aR,8aR,9S)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3aH-azuleno(6,7-b)furan-2,8-dione
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.1205 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1205 |
| Monoisotopic Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 5442-23-9 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2C(=C(C(=O)O2)C)[C@@H]([C@]3([C@H]1C=CC3=O)C)O |
| InChIKey | MXDBSOSHFBRRIJ-JMLQNSIWSA-N |
Product Overview
Isohelenalin (CAS 5442-23-9), with molecular formula C15H18O4 and molecular weight 262.1205 g/mol. IUPAC: (3aR,5R,5aR,8aR,9S)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3aH-azuleno[6,7-b]furan-2,8-dione.
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