Abstract
The conformational flexibility of vitamin D was investigated by a combination of force field calculations, LIS measurements and LIS simulations. Besides the two A-ring chair forms, A-ring twist forms were detected and were attributed to steric interactions arising from the substitution pattern of this class of seco-steroids.
Zusammenfassung
Die konformationelle Beweglichkeit von Vitamin D wurde mittels einer Kombination aus Kraftfeld Rechnungen, LIS-Messungen und LIS-Rechnungen untersucht. Neben den beiden A-Ring Sesselformen wurden auch A-Ring Twistformen aufgefunden. Die Ursache für das Vorhandensein von diesen Twistformen liegt in sterischen Wechselwirkungen, verursacht durch das Substitutionsmuster des A-Ringes in diesem seco-Steroid.
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References
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Hofer, O., Kählig, H. & Reischl, W. On the conformational flexibility of vitamin D. Monatsh Chem 124, 185–198 (1993). https://doi.org/10.1007/BF00808678
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DOI: https://doi.org/10.1007/BF00808678