(1S,2R,4S,5R,10S,11R,13S,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-[(1S)-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
Grundinformationen
- Standard-SMILES
C[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1OC(=O)C=C2[C@]3(C)[C@H]4[C@H](OC(=O)[C@@]4(C)[C@@H](O)[C@@H]4O[C@@H]43)[C@H]3O[C@@]231- InChIKey
QGWDZDZECYBAPW-CAOJEBIVSA-N- Summenformel
- C24H30O13
- Durchschnittliche Molmasse
- 526,5 g/mol
- Monoisotopische Masse
- 526,16864102
Überblick
(1S,2R,4S,5R,10S,11R,13S,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-[(1S)-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione has been reported in Podocarpus macrophyllus with data available.
Namen und Bezeichner
- Bevorzugter Name
- (1S,2R,4S,5R,10S,11R,13S,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-[(1S)-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
- IUPAC
- (1S,2R,4S,5R,10S,11R,13S,14R,15R,18R)-14-hydroxy-10,15-dimethyl-5-[(1S)-1-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3,6,12,17-tetraoxahexacyclo[8.7.1.02,4.04,9.011,13.015,18]octadec-8-ene-7,16-dione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,9
- Polarare Oberfläche (TPSA)
- 197 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 13
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 1.090
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…