N-Acetylstepharine
5-acetyl-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one
Also Known As: N-Acetylstepharine|BAS 00225293|(8'aR)-1'-Acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxyspiro[2,5-cyclohexadiene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one|AB00553783-04|AE-508/21136016|AG-690/09710007|SR-01000360833-1|acetyl(dimethoxy)spiro[[?]-[?],4'-cyclohexa-2,5-diene]-1'-one|1'-acetyl-5',6'-dimethoxy-2',3',8',8a'-tetrahydro-1'H,4H-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one|5-acetyl-10,11-dimethoxy-spiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one|5-acetyl-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one|N/A|Spiro[cyclohexa-2,5-diene-1,7'(1'H)-cyclopent[ij]isoquinolin]-4-one, 1'-acetyl-2',3',8',8'a-tetrahydro-5',6'-dimethoxy-
| Molecular Formula | C20H21NO4 |
|---|---|
| Molecular Weight | 339.14706 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 339.14706 |
| Monoisotopic Mass | 339.14706 |
| Heavy Atoms | 25 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 4880-87-9 |
|---|---|
| SMILES | CC(=O)N1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC |
| InChIKey | QHDTTYCECGBECX-UHFFFAOYSA-N |
Product Overview
N-Acetylstepharine (CAS 4880-87-9), with molecular formula C20H21NO4 and molecular weight 339.14706 g/mol. IUPAC: 5-acetyl-10,11-dimethoxyspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one.