7,8,18,24,25,26,30,31,37,58,59-Undecahydroxy-32-(hydroxymethyl)-13,18,39,43,50,50,55,56,56-nonamethyl-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
Grundinformationen
- Standard-SMILES
CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(COC(=O)CC(C)(O)CC(=O)OC1C(O)C2O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4- InChIKey
HPZYHDCYSZGOPJ-UHFFFAOYSA-N- Summenformel
- C59H92O25
- Durchschnittliche Molmasse
- 1.201,3 g/mol
- Monoisotopische Masse
- 1.200,59276844
Namen und Bezeichner
- Bevorzugter Name
- 7,8,18,24,25,26,30,31,37,58,59-Undecahydroxy-32-(hydroxymethyl)-13,18,39,43,50,50,55,56,56-nonamethyl-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
- IUPAC
- 7,8,18,24,25,26,30,31,37,58,59-undecahydroxy-32-(hydroxymethyl)-13,18,39,43,50,50,55,56,56-nonamethyl-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 386 Ų
- H-Brücken-Donoren
- 12
- H-Brücken-Akzeptoren
- 25
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 84
- Formalladung
- 0
- Komplexität
- 2.460
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…