Trachelanthine
[(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
| Molecular Formula | C15H27NO5 |
|---|---|
| Molecular Weight | 301.38 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 84.8 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.18893 |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 510-19-0 |
|---|---|
| SMILES | CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1CCC2)[O-])O |
| InChIKey | DLNWZIVYKQXLTN-CGYUPCHJSA-N |
📖 Product Overview
Trachelanthine (CAS: 510-19-0) is a chemical compound with molecular formula C15H27NO5 and molecular weight 301.38 g/mol. Its IUPAC systematic name is [(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate.
DLNWZIVYKQXLTN-CGYUPCHJSA-N.
SMILES: CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1CCC2)[O-])O.
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