4,5,6,12,20,21,22,25,26,37,38,41,42,43,55,56,57,63-Octadecahydroxy-2,10,13,16,28,35,47,50,61-nonaoxatridecacyclo[50.10.2.03,8.011,49.014,48.018,23.024,33.027,32.030,39.031,36.040,45.053,62.054,59]tetrahexaconta-1(63),3,5,7,18,20,22,24,26,30,32,36,38,40,42,44,52(64),53(62),54,56,58-henicosaene-9,17,29,34,46,51,60-heptone
Grundinformationen
- Standard-SMILES
O=C1OC2C(O)OC3COC(=O)c4cc(O)c(O)c(O)c4-c4c(O)c(O)c5oc(=O)c6c(c(O)c(O)c7oc(=O)c4c5c76)-c4c(cc(O)c(O)c4O)C(=O)OC3C2OC(=O)c2cc(O)c(c3oc(=O)c4cc(O)c(O)c(O)c4c23)Oc2c1cc(O)c(O)c2O- InChIKey
MLBNOYSFHXHCOV-UHFFFAOYSA-N- Summenformel
- C55H30O34
- Durchschnittliche Molmasse
- 1.234,8 g/mol
- Monoisotopische Masse
- 1.234,06184804
Überblick
MLBNOYSFHXHCOV-UHFFFAOYSA-N has been reported in Terminalia catappa with data available.
Namen und Bezeichner
- Bevorzugter Name
- 4,5,6,12,20,21,22,25,26,37,38,41,42,43,55,56,57,63-Octadecahydroxy-2,10,13,16,28,35,47,50,61-nonaoxatridecacyclo[50.10.2.03,8.011,49.014,48.018,23.024,33.027,32.030,39.031,36.040,45.053,62.054,59]tetrahexaconta-1(63),3,5,7,18,20,22,24,26,30,32,36,38,40,42,44,52(64),53(62),54,56,58-henicosaene-9,17,29,34,46,51,60-heptone
- IUPAC
- 4,5,6,12,20,21,22,25,26,37,38,41,42,43,55,56,57,63-octadecahydroxy-2,10,13,16,28,35,47,50,61-nonaoxatridecacyclo[50.10.2.03,8.011,49.014,48.018,23.024,33.027,32.030,39.031,36.040,45.053,62.054,59]tetrahexaconta-1(63),3,5,7,18,20,22,24,26,30,32,36,38,40,42,44,52(64),53(62),54,56,58-henicosaene-9,17,29,34,46,51,60-heptone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 567 Ų
- H-Brücken-Donoren
- 18
- H-Brücken-Akzeptoren
- 34
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 89
- Formalladung
- 0
- Komplexität
- 2.810
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
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