Latifoline N-oxide
[7-[(3,5-dimethyl-2-oxo-3H-furan-4-carbonyl)peroxymethyl]-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-methylbutanoate
Also Known As: Latifoline N-oxide|Latifoline-N-oxide|[7-[(3,5-dimethyl-2-oxo-3H-furan-4-carbonyl)peroxymethyl]-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-methylbutanoate|(7-((3,5-dimethyl-2-oxo-3H-furan-4-carbonyl)peroxymethyl)-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl) 2-methylbutanoate|7-{[(2,4-Dimethyl-5-oxo-4,5-dihydrofuran-3-carbonyl)peroxy]methyl}-4-oxo-1,2,3,4,5,7a-hexahydro-4lambda~5~-pyrrolizin-1-yl 2-methylbutanoate
| Molecular Formula | C20H27NO8 |
|---|---|
| Molecular Weight | 409.17368 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.17368 |
| Monoisotopic Mass | 409.17368 |
| Heavy Atoms | 29 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 98752-06-8 |
|---|---|
| SMILES | CCC(C)C(=O)OC1CC[N+]2(C1C(=CC2)COOC(=O)C3=C(OC(=O)C3C)C)[O-] |
| InChIKey | JFRJYXOOUABEPQ-UHFFFAOYSA-N |
Product Overview
Latifoline N-oxide (CAS 98752-06-8), with molecular formula C20H27NO8 and molecular weight 409.17368 g/mol. IUPAC: [7-[(3,5-dimethyl-2-oxo-3H-furan-4-carbonyl)peroxymethyl]-4-oxido-2,3,5,8-tetrahydro-1H-pyrrolizin-4-ium-1-yl] 2-methylbutanoate.