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NMR assignments and conformational analysis of yuanhuacin (1993)

Zhou, Bing-Nan ; Xue, Liang ; Lin, Long-Ze ; [et al.]

Chichester : Wiley-Blackwell

Organic Magnetic Resonance 31 (1993), S. 194-199

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ISSN: 0749-1581

Keywords: 2D NMR (COSY, ROESY, HETCOR, FLOCK) ; Conformation ; Computer modeling ; Molecular dynamics simulation ; Yuanhuacin ; Thymelaeaceae ; Chemistry ; Analytical Chemistry and Spectroscopy

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology

Notes: Stereochemical assignments of yuanhuacin were performed through two-dimensional COSY, ROESY, 1H and 13C shift correlation spectroscopy (HETCOR and FLOCK), and ambiguous assignments were resolved through molecular modeling comparisons. This combination of techniques is applicable for the assignment of 1H and 13C chemical shifts of polycyclic compounds containing high percentages of quaternary carbons.

Additional Material: 2 Ill.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1002/mrc.1260310208

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