[(2S,3R,4R,5R,6S)-4-hydroxy-6-[(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-4-[(2S)-2-methylbutanoyl]oxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyl-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-3-yl] dodecanoate
Grundinformationen
- Standard-SMILES
CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O[C@@H]2[C@@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCC[C@H](CCCCC)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)O[C@H]2C)O[C@H]1C- InChIKey
BSBHGLZXHXVIIA-CXRSSMJVSA-N- Summenformel
- C66H106O22
- Durchschnittliche Molmasse
- 1.251,5 g/mol
- Monoisotopische Masse
- 1.250,71757503
Überblick
BSBHGLZXHXVIIA-CXRSSMJVSA-N has been reported in Ipomoea batatas with data available.
Namen und Bezeichner
- Bevorzugter Name
- [(2S,3R,4R,5R,6S)-4-hydroxy-6-[(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-4-[(2S)-2-methylbutanoyl]oxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyl-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-3-yl] dodecanoate
- IUPAC
- [(2S,3R,4R,5R,6S)-4-hydroxy-6-[(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-4-[(2S)-2-methylbutanoyl]oxy-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]oxan-3-yl]oxy-2-methyl-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-3-yl] dodecanoate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 11,5
- Polarare Oberfläche (TPSA)
- 300 Ų
- H-Brücken-Donoren
- 6
- H-Brücken-Akzeptoren
- 22
- Frei drehbare Bindungen
- 29
- Schwere Atome
- 88
- Formalladung
- 0
- Komplexität
- 2.040
Zugehörige Reaktionen
0
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