[(1R,2S,4S,5S,6R,8S,10R,11R,12S,14S,15S,16R,19S,20S,21R)-20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
Grundinformationen
- Standard-SMILES
CC(=O)O[C@H]1[C@@H](O)[C@]23CO[C@H](OC(=O)C(C)C)[C@@](C)([C@H]2C[C@H](O)[C@@]2(C)[C@H]3C(=O)[C@@H](O)[C@]3(C)[C@@H](c4ccoc4)C[C@@H]4O[C@]423)[C@H]1OC(C)=O- InChIKey
NVFHKAJEEUUJEX-AGNMLZHCSA-N- Summenformel
- C34H44O13
- Durchschnittliche Molmasse
- 660,7 g/mol
- Monoisotopische Masse
- 660,27819147
Überblick
[(1R,2S,4S,5S,6R,8S,10R,11R,12S,14S,15S,16R,19S,20S,21R)-20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate has been reported in Melia azedarach with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(1R,2S,4S,5S,6R,8S,10R,11R,12S,14S,15S,16R,19S,20S,21R)-20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
- IUPAC
- [(1R,2S,4S,5S,6R,8S,10R,11R,12S,14S,15S,16R,19S,20S,21R)-20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,3
- Polarare Oberfläche (TPSA)
- 192 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.380
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…