HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Neoeuonymine
neoeuonymine
Identifikatoren & physikalische Daten
| CAS No. | 33510-25-7 |
|---|---|
| Summenformel | C36H45NO17 |
| Durchschnittliche Molmasse | 763,7 g/mol |
| Monoisotopische Masse | 763,26874897 g/mol |
| SMILES | CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](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 | NKTOESKXBIEREY-RRFKVAGVSA-N |
| PubChem CID | 477608 |
| ChEMBL | CHEMBL499170 |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 247 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 18 |
| Frei drehbare Bindungen | 11 |
| Schwere Atome | 54 |
| Formalladung | 0 |
| Komplexität | 1.570 |
| Schmelzpunkt | 2S9-262°C |
| InChIKey | NKTOESKXBIEREY-RRFKVAGVSA-N |
Anwendungen & Verwendung
Beschreibung
A macrocyclic alkaloid occurring in Euonymus sieboldiana Blume, the base yields colourless crystals from MeOH. It is laevorotatory with [α]D - 11° (c 0.49, CHCI3). The ultraviolet spectrum has two absorption maxima at 228 and 266 mJi. Four acetoxy groups and one acetoxymethyl group are present together with one secondary and one tertiary hydroxyl group. The structure has been elucidated from spectroscopic investigations, particularly the NMR and mass spectra.