methyl (1S,2S,4S,5R,6R,7S)-5-hydroxy-5-[(R)-hydroxy-[(Z)-[(1S,2S,4R,6S,7S)-10-methoxycarbonyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-ylidene]methoxy]methyl]-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-10-carboxylate
Grundinformationen
- Standard-SMILES
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2/C(=C/O[C@@H](O)[C@@]3(O)[C@@H]4[C@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)OC=C(C(=O)OC)[C@H]4[C@@H]4O[C@@H]43)[C@H]3O[C@H]3[C@H]12- InChIKey
JDAPNJUPAIXZIN-WQGORORWSA-N- Summenformel
- C34H44O23
- Durchschnittliche Molmasse
- 820,7 g/mol
- Monoisotopische Masse
- 820,22733767
Überblick
JDAPNJUPAIXZIN-WQGORORWSA-N has been reported in Morinda citrifolia with data available.
Namen und Bezeichner
- Bevorzugter Name
- methyl (1S,2S,4S,5R,6R,7S)-5-hydroxy-5-[(R)-hydroxy-[(Z)-[(1S,2S,4R,6S,7S)-10-methoxycarbonyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-ylidene]methoxy]methyl]-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-10-carboxylate
- IUPAC
- methyl (1S,2S,4S,5R,6R,7S)-5-hydroxy-5-[(R)-hydroxy-[(Z)-[(1S,2S,4R,6S,7S)-10-methoxycarbonyl-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-en-5-ylidene]methoxy]methyl]-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,8-dioxatricyclo[4.4.0.02,4]dec-9-ene-10-carboxylate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -6,2
- Polarare Oberfläche (TPSA)
- 345 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 23
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 57
- Formalladung
- 0
- Komplexität
- 1.650
Zugehörige Reaktionen
0
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