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(1S,8S,10S,11R,12S,13S)-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,13-diol
Stephuline · 8β,10β-Epoxy-3,7β,8-trimethoxyhasubanan-4,6β-diol · Hasubanan-4,6-diol, 8,10-epoxy-3,7,8-trimethoxy-, (6β,7β,8β,10β)- (9CI)
![Molekülstruktur von (1S,8S,10S,11R,12S,13S)-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-triene-3,13-diol](/img/chemical/178782848.png)
Identifikatoren & physikalische Daten
| CAS No. | 30753-39-0 |
|---|---|
| Summenformel | C19H25NO6 |
| Durchschnittliche Molmasse | 363,4 g/mol |
| SMILES | COc1ccc2c(c1O)[C@@]13CCN[C@@]14C[C@@H]2O[C@@]4(OC)[C@@H](OC)[C@@H](O)C3 |
| InChIKey | ACRRBZDXZFFIGZ-AMTPKYOQSA-N |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 89,4 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 590 |
| Schmelzpunkt | 223-5°C |
| Siedepunkt | 558.1±50.0 °C(Predicted) |
| Dichte | 1.41±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 9.82±0.70(Predicted) |
Anwendungen & Verwendung
Beschreibung
Isolated from Stephania hernandifolia, this base forms colourless crystals from CHCl3 and has [α]32D + 93° (c 0.55, MeOH). It gives an ultraviolet spectrum in EtOH which exhibits two absorption maxima at 226 and 283 mil. The base contains three methoxyl groups, one phenolic and one non-phenolic hydroxyl group and an imino group. The N-methyl derivative is crystalline with m.p. 125-8°C.