dentatin A
(3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Also Known As: dentatin A|Naphtho(1,2-b)furan-2(3H)-one, decahydro-4,6-dihydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4S,5aR,6R,9aS,9bR)-|(3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one|4,6-Dihydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one|(3aR,4S,5aR,6R,9aS,9bR)-4,6-Dihydroxy-5a-methyl-3,9-dimethylidenedecahydronaphtho[1,2-b]furan-2(3H)-one|Naphtho(1,2-b)furan-2(3H)-one,decahydro-4,6-dihydroxy-5a-methyl-3,9-bis(methylene)-,(3aR,4S,5aR,6R,9aS,9bR)
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.13617 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.13617 |
| Monoisotopic Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 75433-10-2 |
|---|---|
| SMILES | C[C@@]12C[C@@H]([C@@H]3[C@@H]([C@H]1C(=C)CC[C@H]2O)OC(=O)C3=C)O |
| InChIKey | SDBHSYNLYKOZEJ-XFKURJONSA-N |
Product Overview
dentatin A (CAS 75433-10-2), with molecular formula C15H20O4 and molecular weight 264.13617 g/mol. IUPAC: (3aR,4S,5aR,6R,9aS,9bR)-4,6-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one.