O-Acetylretuline
[(9S,10S,11R,17S)-8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate
Also Known As: O-Acetylretuline|1-Acetylcur-19-en-17-yl acetate|1-Acetyl-16alpha-cur-19-en-17-yl acetate|Curan-17-ol, 1-acetyl-19,20-didehydro-, acetate (ester), (16a,19E)-
CAS: 18397-05-2
| Molecular Formula | C23H28N2O3 |
|---|---|
| Molecular Weight | 380.21 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.21 |
| Monoisotopic Mass | 380.21 |
| Heavy Atoms | 28 |
| Complexity | 719.0 |
Chemical Identifiers
| CAS Number | 18397-05-2 |
|---|---|
| SMILES | CC=C1CN2CCC34[C@@H]2C[C@@H]1[C@@H]([C@@H]3N(C5=CC=CC=C45)C(=O)C)COC(=O)C |
| InChIKey | PTRWORWVJKGZCI-IDASFKSMSA-N |
Product Overview
O-Acetylretuline (CAS 18397-05-2), with molecular formula C23H28N2O3 and molecular weight 380.21 g/mol. IUPAC: [(9S,10S,11R,17S)-8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methyl acetate.
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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