Acetylhydroxycodeinone
[(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] acetate
Also Known As: Acetylhydroxycodeinone|Codeinone, acetylhydroxy-|Codeinone, 14-hydroxy-, acetate|Morphinan-6-one, 14-(acetyloxy)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha)-|Morphinan-6-one, 7,8-didehydro-4,5-alpha-epoxy-14-hydroxy-3-methoxy-17-methyl-, acetate (ester)|3-Methoxy-14-acetoxy-17-methyl-4,5alpha-epoxy-7,8-didehydromorphinan-6-one|14-Acetoxy-7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6-one|3-Methoxy-17-methyl-6-oxo-5alpha-7,8-didehydro-4,5-epoxymorphinan-14-yl acetate|(1S,5R,13R,17S)-10-methoxy-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraen-17-yl acetate|Morphinan-6-one, 14-(acetyloxy)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.)-
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14197 g/mol |
| LogP | 1.395 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.14197 |
| Monoisotopic Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 877.1977 |
Chemical Identifiers
| CAS Number | 978-76-7 |
|---|---|
| SMILES | CC(=O)O[C@@]12C=CC(=O)[C@H]3[C@@]14CCN([C@@H]2CC5=C4C(=C(C=C5)OC)O3)C |
Product Overview
Acetylhydroxycodeinone (CAS 978-76-7), with molecular formula C20H21NO5 and molecular weight 355.14197 g/mol. IUPAC: [(4R,4aS,7aR,12bS)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] acetate.