AC1OETHB
(E)-1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenylprop-2-en-1-one
Also Known As: (E)-1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenylprop-2-en-1-one
CAS: 956809-26-0
| Molecular Formula | C26H31NO4 |
|---|---|
| Molecular Weight | 421.2253 g/mol |
| LogP | 4.6119 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 421.2253 |
| Monoisotopic Mass | 421.2253 |
| Heavy Atoms | 31 |
| Complexity | 941.6781 |
Chemical Identifiers
| CAS Number | 956809-26-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)[C@H]2[C@@H]3CCCC[C@@]3(CCN2C(=O)/C=C/C4=CC=CC=C4)O |
Product Overview
AC1OETHB (CAS 956809-26-0), with molecular formula C26H31NO4 and molecular weight 421.2253 g/mol. IUPAC: (E)-1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-3-phenylprop-2-en-1-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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