alpha-Obscurine
(1R,9R,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one
Also Known As: alpha-Obscurine|(1R,9R,10R,16R)-14,16-Dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-one|(4aR,5R,10bS,12R)-1,12-Dimethyl-2,3,4,4a,5,6,9,10-octahydro-1H-5,10b-propano-1,7-phenanthrolin-8(7H)-one
CAS: 596-55-4
| Molecular Formula | C17H26N2O |
|---|---|
| Molecular Weight | 274.2045 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 274.2045 |
| Monoisotopic Mass | 274.2045 |
| Heavy Atoms | 20 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 596-55-4 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@@]4(C1)[C@@H]2CCCN4C |
| InChIKey | HXJHQEWSHQXRPH-HPTBWKMGSA-N |
Product Overview
alpha-Obscurine (CAS 596-55-4), with molecular formula C17H26N2O and molecular weight 274.2045 g/mol. IUPAC: (1R,9R,10R,16R)-14,16-dimethyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadec-2(7)-en-5-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.
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