HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6,12'-Dimethoxy-2,2'-dimethyl-6',7-epoxyoxyacanthan
Isotrilobine · Isotrilobin · Homotrilobin · Homotrilobine · (+)-Isotrilobine · N,O-Dimethylcocsoline · 2H-22,26-Epoxy-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline, 3,4,4a,5,16a,17,18,19-octahydro-9,21-dimethoxy-4,17-dimethyl-, (4aS,16aS)-
Identifikatoren & physikalische Daten
| CAS No. | 26195-62-0 |
|---|---|
| Summenformel | C36H36N2O5 |
| Durchschnittliche Molmasse | 576,7 g/mol |
| Monoisotopische Masse | 576,26242225 g/mol |
| SMILES | COc1ccc2cc1Oc1ccc(cc1)CC1c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5C2)CCN1C |
| InChIKey | SVMNNRZZJAFEJM-UHFFFAOYSA-N |
| PubChem CID | 33352 |
| DTXSID | DTXSID90949070 |
Chemische & physikalische Eigenschaften
| XLogP | 6,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 43 |
| Formalladung | 0 |
| Komplexität | 960 |
| Schmelzpunkt | 215° |
| Dichte | 1.232±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 7.46±0.20(Predicted) |
Anwendungen & Verwendung
Beschreibung
This isomeride of the preceding alkaloid also occurs in Cocculus sarmentosus Diels and C. trilobus DC. It crystallizes in stellate clusters of colourless prisms and has [α]19D + 293°. The dihydrochloride also forms prisms, m.p. 310°C and the dimethiodide decomposes at 262°C. The base also contains two methoxyl groups and two methylimino groups and the corresponding methylmethine has m.p. 115°C and is optically inactive.