44-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,24,25,26,29,30,31,34,40,43-pentadecahydroxy-3,17,20,37,45,50,53-heptaoxadodecacyclo[26.21.3.333,49.111,15.02,19.05,10.022,27.032,52.036,48.038,47.041,46.036,55]hexapentaconta-5,7,9,11(56),12,14,22,24,26,28(52),29,31,33,38(47),39,41(46)-hexadecaene-4,16,21,35,51,54-hexone
Grundinformationen
- Standard-SMILES
O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2cc1c(O)c(O)c2O)C1OC(=O)C2C4=C(O)C(=O)C23Oc2cc(O)c4c(c2C13)OC(c1ccc(O)c(O)c1)C(O)C4- InChIKey
WOSDYJCPAZNHHE-UHFFFAOYSA-N- Summenformel
- C55H36O30
- Durchschnittliche Molmasse
- 1.176,9 g/mol
- Monoisotopische Masse
- 1.176,12913975
Überblick
WOSDYJCPAZNHHE-UHFFFAOYSA-N has been reported in Castanopsis cuspidata and Castanopsis sieboldii with data available.
Namen und Bezeichner
- Bevorzugter Name
- 44-(3,4-Dihydroxyphenyl)-7,8,9,12,13,14,24,25,26,29,30,31,34,40,43-pentadecahydroxy-3,17,20,37,45,50,53-heptaoxadodecacyclo[26.21.3.333,49.111,15.02,19.05,10.022,27.032,52.036,48.038,47.041,46.036,55]hexapentaconta-5,7,9,11(56),12,14,22,24,26,28(52),29,31,33,38(47),39,41(46)-hexadecaene-4,16,21,35,51,54-hexone
- IUPAC
- 44-(3,4-dihydroxyphenyl)-7,8,9,12,13,14,24,25,26,29,30,31,34,40,43-pentadecahydroxy-3,17,20,37,45,50,53-heptaoxadodecacyclo[26.21.3.333,49.111,15.02,19.05,10.022,27.032,52.036,48.038,47.041,46.036,55]hexapentaconta-5,7,9,11(56),12,14,22,24,26,28(52),29,31,33,38(47),39,41(46)-hexadecaene-4,16,21,35,51,54-hexone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 511 Ų
- H-Brücken-Donoren
- 17
- H-Brücken-Akzeptoren
- 30
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 85
- Formalladung
- 0
- Komplexität
- 2.740
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