14-Deoxylactucin
(3aR,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione
Also Known As: 14-Deoxylactucin|14-deoxy-lactucin|11,13-dehydrodesacetyl-matricarin|11,13-Dehydrodesacetylmatricarin|14-Deoxylactucin (Dehydrodesacetylmatricarin)|(3aR,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione|Azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-6,9-dimethyl-3-methylene-, (3aR-(3aalpha,4alpha,9aalpha,9bbeta))-|(3aR)-3,3abeta,4,5,9abeta,9balpha-Hexahydro-4beta-hydroxy-6,9-dimethyl-3-methyleneazuleno[4,5-b]furan-2,7-dione|(3AR,4S,9AS,9BR)-4-HYDROXY-6,9-DIMETHYL-3-METHYLIDENE-2H,3H,3AH,4H,5H,7H,9AH,9BH-AZULENO[4,5-B]FURAN-2,7-DIONE|(3aR,4S,9aS,9bR)-4-Hydroxy-6,9-dimethyl-3-methylidene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione|(3aR,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno(4,5-b)furan-2,7-dione
| Molecular Formula | C15H16O4 |
|---|---|
| Molecular Weight | 260.10486 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 260.10486 |
| Monoisotopic Mass | 260.10486 |
| Heavy Atoms | 19 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 74635-52-2 |
|---|---|
| SMILES | CC1=C2[C@@H]([C@@H]3[C@@H]([C@H](C1)O)C(=C)C(=O)O3)C(=CC2=O)C |
| InChIKey | LLUKLZVIROBDGI-SCUASFONSA-N |
Product Overview
14-Deoxylactucin (CAS 74635-52-2), with molecular formula C15H16O4 and molecular weight 260.10486 g/mol. IUPAC: (3aR,4S,9aS,9bR)-4-hydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione.
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