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  • 1
    ISSN: 0749-1581
    Keywords: Alphitonia zizyphoides ; Saponin ; 2D NMR ; INADEQUATE ; Molecular structure ; Computerized spectral analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: High-field NMR experiments, including the 2D INADEQUATE technique coupled with a computerized spectral analysis, were used to determine the full structure of a new saponin extracted from a plant (Alphitonia zizyphoides) found in the Samoan rain forests. The saponin, which shows significant pharmacological activity, consists of an aglycone framework of six rings (three saturated six-membered rings, two oxygen-containing five-membered rings and a five-membered carbon ring) to which are attached four sugar units and a six-carbon side-chain. The INADEQUATE experiment, which was carried out on 60 mg of sample, provided absolute confirmation of the assignments for 35 of the possible 53 C—C bonds from the 13C-13C connectivities.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Organic Magnetic Resonance 33 (1995), S. 803-811 
    ISSN: 0749-1581
    Keywords: NMR ; 13C NMR ; 2D INADEQUATE ; polycyclic benzenoid aromatics ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A computerized analysis of a single 2D INADEQUATE spectra assigns all of the 13C chemical shifts in fairly complex aromatic systems. Without the aid of the computer this information is often difficult, if not impossible, to retrieve owing to overlap of the signals in the double quantum dimension. In addition, the use of the computerized analysis allows for the interpretation of INADEQUATE spectra with much lower signal-to-noise ratios than are practical if the analysis were to be done visually. Finally, narrowing the spectral window to a subset of the entire spectrum and the companion advantages are demonstrated. The assignments of the aromatic chemical shifts in 2-methoxydibenzofuran, 6-methylchrysene, 1-decylpyrene, and 7-methylbenzo[a]pyrene illustrate the power of automated pattern recognition methods while supplying previously unavailable chemical shift assignments on these complex fused polycyclic aromatic systems.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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