[2-[3,5-Dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
Grundinformationen
- Standard-SMILES
CC(=O)OC1C(O)C(CO)OC(OC2C(O)C(C)OC(OC3CCC4(C)C(CCC5(C)C4C=CC46OCC7(CCC(C)(C)CC74)C(O)CC56C)C3(C)CO)C2O)C1O- InChIKey
HAUJZZHHHIUYEJ-UHFFFAOYSA-N- Summenformel
- C44H70O14
- Durchschnittliche Molmasse
- 823 g/mol
- Monoisotopische Masse
- 822,47655692
Überblick
[2-[3,5-Dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate has been reported in Bupleurum falcatum and Bupleurum marginatum var. stenophyllum with data available.
Namen und Bezeichner
- Bevorzugter Name
- [2-[3,5-Dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
- IUPAC
- [2-[3,5-dihydroxy-2-[[2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,1
- Polarare Oberfläche (TPSA)
- 214 Ų
- H-Brücken-Donoren
- 7
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 58
- Formalladung
- 0
- Komplexität
- 1.610
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