HuagongsheHuagongshe Chemistry Print Report · For research reference only
CID 477607
Euonymine · Euonymin · enouymine · 8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17-dione, 10,13,14,21,22-pentakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,19S,20S,21S,22R)-
Identifiers & Physical Properties
| CAS No. | 33458-82-1 |
|---|---|
| Molecular formula | C38H47NO18 |
| Average molar mass | 805.8 g/mol |
| Monoisotopic mass | 805.27931365 g/mol |
| SMILES | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)C4(C)O |
| InChIKey | PBFGAFDJVQAMRS-KCYQGYFWSA-N |
| PubChem CID | 477607 |
| ChEMBL | CHEMBL503447 |
| DTXSID | DTXSID601019965 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 253 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 19 |
| Rotatable bonds | 13 |
| Heavy atoms | 57 |
| Formal charge | 0 |
| Complexity | 1,680 |
| Boiling point | 799.6±60.0 °C(Predicted) |
| Density | 1.40±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.75±0.70(Predicted) |
| Physical state | Solid |
| Color | White to off-white |
| CAS DataBase Reference | 33458-82-1 |
Applications & Uses
Uses
Euonymine (Euonymin) is a sesquiterpene pyridine alkaloid isolated from the leaves of Maytenus chiapensis.