Xerantholide
(3aS,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione
Also Known As: Xerantholide|XERANTOLIDE|MEGxp0_000496|ACon0_000308|ACon1_000203|NCGC00180785-01|(3aS,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione|Azuleno(6,5-b)furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-, (3aR-(3aalpha,7aalpha,8beta,9abeta))-|BRD-K36679592-001-01-6|5,8-Dimethyl-3-methylidene-3a,7,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2,6(3H,4H)-dione|(3aR)-3aalpha,7,7aalpha,8,9,9abeta-Hexahydro-5,8beta-dimethyl-3-methyleneazuleno[6,5-b]furan-2,6(3H,4H)-dione|(3aR,7aS,8S,9aS)-3a,7,7a,8,9,9a-Hexahydro-5,8-dimethyl-3-methyleneazuleno(6,5-b)furan-2,6(3H,4H)-dione|(3AR,7AS,8S,9AS)-5,8-DIMETHYL-3-METHYLIDENE-2H,3H,3AH,4H,6H,7H,7AH,8H,9H,9AH-AZULENO[6,5-B]FURAN-2,6-DIONE|(3aR,7aS,8S,9aS)-5,8-Dimethyl-3-methylidene-3a,7,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2,6(3H,4H)-dione|(3aS,5S,5aS,9aR)-5,8-dimethyl-1-methylene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno(6,5-b)furan-2,7-dione|Azuleno[6,5-b]furan-2,6(3H,4H)-dione,3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-, (3aR,7aS,8S,9aS)-|Azuleno[6,5-b]furan-2,6(3H,4H)-dione,3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-,(3ar,7as,8s,9as)-
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.1256 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Monoisotopic Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 65017-97-2 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@H](CC3=C(C(=O)C[C@@H]13)C)C(=C)C(=O)O2 |
| InChIKey | UQNONRHPSCIIJO-BNYHBGRESA-N |
Product Overview
Xerantholide (CAS 65017-97-2), with molecular formula C15H18O3 and molecular weight 246.1256 g/mol. IUPAC: (3aS,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione.