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methyl (4S,8S,9S)-8,11-dimethyl-2-oxo-7-oxa-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),5,15,17,19-pentaene-5-carboxylate
Picraphylline · (4S,4aS,15aS)-4,4a,5,6,7,8,13,14,15,15a-Decahydro-4,6-dimethyl-14-oxopyrano[4',3':8,9]azecino[5,4-b]indole-1-carboxylic acid methyl ester · Pyrano[4',3':8,9]azecino[5,4-b]indole-1-carboxylic acid, 4,4a,5,6,7,8,13,14,15,15a-decahydro-4,6-dimethyl-14-oxo-, methyl ester, (4S,4aS,15aS)- (9CI)
![Molekülstruktur von methyl (4S,8S,9S)-8,11-dimethyl-2-oxo-7-oxa-11,21-diazatetracyclo[12.7.0.04,9.015,20]henicosa-1(14),5,15,17,19-pentaene-5-carboxylate](/img/chemical/178782822.png)
Identifikatoren & physikalische Daten
| CAS No. | 2447-72-5 |
|---|---|
| Summenformel | C22H26N2O4 |
| Durchschnittliche Molmasse | 382,5 g/mol |
| SMILES | COC(=O)C1=CO[C@@H](C)[C@@H]2CN(C)CCc3c([nH]c4ccccc34)C(=O)C[C@H]12 |
| InChIKey | RODCMQNDIKIJPO-JQFCIGGWSA-N |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 71,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 28 |
| Formalladung | 0 |
| Komplexität | 648 |
| Schmelzpunkt | 255°C |
| Siedepunkt | 559.9±50.0 °C(Predicted) |
| Dichte | 1.198±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 15.10±0.60(Predicted) |
Anwendungen & Verwendung
Beschreibung
Isolated from the flowers of Picralima nitida Stapf., this base has [α]20D - 37° (CHCI3) and gives an ultraviolet spectrum in EtOH with absorption maxima at 238 and 313 mil. The structure has been elucidated by spectroscopic methods.