(1S,4S,7S,8S,9R,11S,13S,14R,18R,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42R,46S,53S,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,57,58-decahydroxy-30-(hydroxymethyl)-13,18,37,41,48,48,53,54,54-nonamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione
Grundinformationen
- Standard-SMILES
C[C@@H]1O[C@H]2O[C@H]3[C@@H](OC[C@H](O)[C@@H]3O)OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](OC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1[C@@H](O)[C@H]2O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4- InChIKey
OGKSUWVFMNNQFI-OGJBTCEMSA-N- Summenformel
- C58H90O24
- Durchschnittliche Molmasse
- 1.171,3 g/mol
- Monoisotopische Masse
- 1.170,58220376
Überblick
OGKSUWVFMNNQFI-OGJBTCEMSA-N has been reported in Actinostemma tenerum with data available.
Namen und Bezeichner
- Bevorzugter Name
- (1S,4S,7S,8S,9R,11S,13S,14R,18R,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42R,46S,53S,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,57,58-decahydroxy-30-(hydroxymethyl)-13,18,37,41,48,48,53,54,54-nonamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione
- IUPAC
- (1S,4S,7S,8S,9R,11S,13S,14R,18R,22S,25S,27R,28S,29S,30R,32R,34R,35S,37R,38R,41R,42R,46S,53S,55R,56R,57S,58R)-7,8,18,28,29,35,55,56,57,58-decahydroxy-30-(hydroxymethyl)-13,18,37,41,48,48,53,54,54-nonamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 366 Ų
- H-Brücken-Donoren
- 11
- H-Brücken-Akzeptoren
- 24
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 82
- Formalladung
- 0
- Komplexität
- 2.410
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