Mexicanin I
(3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Also Known As: Mexicanin I|Mexicanin-I|Mexiconin I|Mexicanin|dl-Mexicanin I|HELENALIN|KST-1A6498|(3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione|(3as,4r,4ar,7ar,8r,9as)-4-hydroxy-4a,8-dimethyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione|Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS-(3aalpha,4beta,4abeta,7aalpha,8alpha,9abeta))-|(3aS)-3,3a,4,4a,7aalpha,8,9,9abeta-Octahydro-4beta-hydroxy-4abeta,8alpha-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione|(3aS)-3,3aalpha,4,4a,7aalpha,8,9,9abeta-Octahydro-4beta-hydroxy-4abeta,8alpha-dimethyl-3-methyleneazuleno[6,5-b]furan-2,5-dione|(3aS,4R,4aR,7aR,8R,9aS)-4-hydroxy-4a,8-dimethyl-3-methylidene-2H,3H,3aH,4H,4aH,5H,7aH,8H,9H,9aH-azuleno[6,5-b]furan-2,5-dione|(3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno(6,7-b)furan-2,8-dione|(3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione|(3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno(6,7-b)furan-2,8-dione
| Molecular Formula | C15H18O4 |
|---|---|
| Molecular Weight | 262.1205 g/mol |
| LogP | 1.25 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.1205 |
| Heavy Atoms | 19 |
| Complexity | 506.3 |
Chemical Identifiers
| CAS Number | 5945-41-5 |
|---|---|
| SMILES | C[C@@H]1C[C@H]2[C@H]([C@H]([C@]3([C@H]1C=CC3=O)C)O)C(=C)C(=O)O2 |
Product Overview
Mexicanin I (CAS 5945-41-5), with molecular formula C15H18O4 and molecular weight 262.1205 g/mol. IUPAC: (3aS,5R,5aR,8aR,9R,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione.
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