HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cyclobuxoxine
Buxtauine M · Cyclobuxoxine · Cyclomicrobuxinine · BuxtauineCyclobuxoxine · (3beta,5alpha,9beta,16alpha)-16-hydroxy-14-methyl-3-(methyla... · 16α-Hydroxy-14-methyl-3β-methylamino-4-methylene-9,19-cyclo-5α-pregnan-20-one · 9,19-Cyclopregnan-20-one, 16-hydroxy-14-methyl-3-(methylamino)-4-methylene-, (3β,5α,16α)- · (3beta,5alpha,16alpha)-16-Hydroxy-14-methyl-3-(methylamino)-4-methylene-9,19-cyclopregnan-20-one
Identifiers & Physical Properties
| CAS No. | 4236-73-1 |
|---|---|
| Molecular formula | C24H37NO2 |
| Average molar mass | 371.6 g/mol |
| Monoisotopic mass | 371.28242942 g/mol |
| SMILES | C=C1C(NC)CCC23CC24CCC2(C)C(C(C)=O)C(O)CC2(C)C4CCC13 |
| InChIKey | KTASKRCJBXZGMH-UHFFFAOYSA-N |
| PubChem CID | 265755 |
| DTXSID | DTXSID00962437 |
Chemical & Physical Properties
| XLogP | 4.2 |
|---|---|
| Topological polar surface area | 49.3 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 717 |
| Melting point | 172-178℃ |
| Boiling point | 496.9±45.0 °C(Predicted) |
| Density | 1.12 |
| pKa (acidity coefficient) | 14.57±0.70(Predicted) |
Applications & Uses
Uses
Buxtamine is Buxus alkaloid obtained from the cleavage of Buxapapillosin, a new triterpene from the roots of the Buxus papillosa.