Oreskaurin A
[(1R,1'S,3aR,6R,6'S,7S,7'R,7aR,9'S)-6,7'-dihydroxy-3a-methyl-10'-methylidene-2',11'-dioxospiro[1,3,4,5,6,7a-hexahydro-2-benzofuran-7,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-1-yl] acetate
Also Known As: Oreskaurin A|((1R,1'S,3aR,6R,6'S,7S,7'R,7aR,9'S)-6,7'-dihydroxy-3a-methyl-10'-methylidene-2',11'-dioxospiro(1,3,4,5,6,7a-hexahydro-2-benzofuran-7,5'-3-oxatricyclo(7.2.1.01,6)dodecane)-1-yl) acetate|[(1R,1'S,3aR,6R,6'S,7S,7'R,7aR,9'S)-6,7'-dihydroxy-3a-methyl-10'-methylidene-2',11'-dioxospiro[1,3,4,5,6,7a-hexahydro-2-benzofuran-7,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-1-yl] acetate
| Molecular Formula | C22H28O8 |
|---|---|
| Molecular Weight | 420.1784 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.1784 |
| Monoisotopic Mass | 420.1784 |
| Heavy Atoms | 30 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 720666-97-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]2[C@@](CC[C@H]([C@]23COC(=O)[C@]45[C@H]3[C@@H](C[C@H](C4)C(=C)C5=O)O)O)(CO1)C |
| InChIKey | XESCNAZYJNKEGK-WSNWWDQLSA-N |
Product Overview
Oreskaurin A (CAS 720666-97-7), with molecular formula C22H28O8 and molecular weight 420.1784 g/mol. IUPAC: [(1R,1'S,3aR,6R,6'S,7S,7'R,7aR,9'S)-6,7'-dihydroxy-3a-methyl-10'-methylidene-2',11'-dioxospiro[1,3,4,5,6,7a-hexahydro-2-benzofuran-7,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-1-yl] acetate.