(4aS,6aS,8aR,10S,12aS,14aS,14bS)-10-hydroxy-2,2,4a,6a,9,9,12a,14a-octamethyl-3,4,6,7,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-5-one
Grundinformationen
- Standard-SMILES
CC1(C)CC[C@]2(C)C(=O)C[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4- InChIKey
ABSKARVPMUCHSE-GIFDHKONSA-N- Summenformel
- C30H48O2
- Durchschnittliche Molmasse
- 440,7 g/mol
- Monoisotopische Masse
- 440,36543078
Überblick
(4aS,6aS,8aR,10S,12aS,14aS,14bS)-10-hydroxy-2,2,4a,6a,9,9,12a,14a-octamethyl-3,4,6,7,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-5-one has been reported in Antidesma montanum with data available.
Namen und Bezeichner
- Bevorzugter Name
- (4aS,6aS,8aR,10S,12aS,14aS,14bS)-10-hydroxy-2,2,4a,6a,9,9,12a,14a-octamethyl-3,4,6,7,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-5-one
- IUPAC
- (4aS,6aS,8aR,10S,12aS,14aS,14bS)-10-hydroxy-2,2,4a,6a,9,9,12a,14a-octamethyl-3,4,6,7,8,8a,10,11,12,13,14,14b-dodecahydro-1H-picen-5-one
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 879
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…