[(2R,3S,4R,5S,6S)-6-[(2R,3R,4S,5R,6S)-5-decanoyloxy-2-methyl-6-[[(1R,3R,5S,6R,7R,8S,20S,22S,24S,25R,26R)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] dodecanoate
Grundinformationen
- Standard-SMILES
CCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@H](O)[C@H](O[C@H]2[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@H](O)[C@@H]3O)[C@@H](OC(=O)CCCCCCCCC)[C@H](O[C@@H]3[C@@H](O)[C@@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O[C@H]4O[C@H]3C)O[C@@H]2C)O[C@@H]1C- InChIKey
PIPJWVLVHFNOQG-HRYDZAOHSA-N- Summenformel
- C68H120O24
- Durchschnittliche Molmasse
- 1.321,7 g/mol
- Monoisotopische Masse
- 1.320,81695472
Überblick
PIPJWVLVHFNOQG-HRYDZAOHSA-N has been reported in Ipomoea batatas with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(2R,3S,4R,5S,6S)-6-[(2R,3R,4S,5R,6S)-5-decanoyloxy-2-methyl-6-[[(1R,3R,5S,6R,7R,8S,20S,22S,24S,25R,26R)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] dodecanoate
- IUPAC
- [(2R,3S,4R,5S,6S)-6-[(2R,3R,4S,5R,6S)-5-decanoyloxy-2-methyl-6-[[(1R,3R,5S,6R,7R,8S,20S,22S,24S,25R,26R)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] dodecanoate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 10,9
- Polarare Oberfläche (TPSA)
- 333 Ų
- H-Brücken-Donoren
- 8
- H-Brücken-Akzeptoren
- 24
- Frei drehbare Bindungen
- 32
- Schwere Atome
- 92
- Formalladung
- 0
- Komplexität
- 2.060
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…