54996-63-3Relevant academic research and scientific papers
An 1H nuclear magnetic resonance study f derivatives of 3-hydroxy-12,13-epoxytrichothec-9-enes
Savard, Marc E.,Blackwell, Barbara A.,Greenhalgh, Roy
, p. 2254 - 2262 (2007/10/02)
The 250-MHz 1H nuclear magnetic resonance spectra of 36 natural and synthetic trichothecenes have been analyzed and the chemical shifts as well as the vicinal and long-range coupling constants determined.Knowledge of the 16-CH3 chemical shift enables the substitution pattern of the A ring to be defined.Similarly, oxygenation in the C ring results in easily identifiable resonances.The J2,3 and J3,4 values define the configuration of substituents at C-3 and C-4, while the configuration at C-7 and C-8 can be defined by the J7,8,J7α,11, and J7β,15 values.The trichothecene ring system adopts the most stable A-half-chair, B-chair conformation in solution.The correlations obtained allow easy structural determination of unknown trichothecenes.
