HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol
Krukovine · (1'R)-6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol · 16H-1,24:6,9-Dietheno-11,15-metheno-2H-pyrido[2',3':17,18][1,11]dioxacycloeicosino[2,3,4-ij]isoquinoline-12,22-diol, 3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-4,17-dimethyl-, (4aR,16aR)- (9CI)
Identifikatoren & physikalische Daten
| CAS No. | 57377-42-1 |
|---|---|
| Summenformel | C36H38N2O6 |
| Durchschnittliche Molmasse | 594,7 g/mol |
| Monoisotopische Masse | 594,27298694 g/mol |
| SMILES | COc1cc2c3cc1Oc1c(O)c(OC)cc4c1C(Cc1ccc(O)c(c1)Oc1ccc(cc1)CC3N(C)CC2)N(C)CC4 |
| InChIKey | XGEAUXVPBXUBKN-UHFFFAOYSA-N |
| PubChem CID | 98409 |
| ChEMBL | CHEMBL1976284 |
| DTXSID | DTXSID80972877 |
Chemische & physikalische Eigenschaften
| XLogP | 5,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,9 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 8 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 44 |
| Formalladung | 0 |
| Komplexität | 948 |
| Siedepunkt | 706.5±60.0 °C(Predicted) |
| Dichte | 1.239±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.38±0.20(Predicted) |
Anwendungen & Verwendung
Beschreibung
This alkaloid has been discovered, as a major component, in the extract from Abuta spendida where it occurs with aromoline and homoaromoline. Chemical and spectroscopic studies have given the above bisbenzylisoquinoline structure for krukovine.
Occurrence
The root stems of Pycnarrhena longifolia yield this bisbenzylisoquinoline alkaloid.