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Conformational analysis of 13-hydroxy-α-isolupanine epimers

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Abstract

13α-Hydroxy-α-isolupanine (I) and 13β-hydroxy-α-isolupanine (II) crystallize in the space groupP212121 witha=13.123(2),b=13.221(3),c=8.224(1) Å,Z=4 anda=9.745(2),b=11.383(1),c=12.710(2) Å,Z=4, respectively. Structural differences between the epimeric molecules are concentrated around ringA. In (I) ringA has a half-chair conformation, and in (II) it is a distorted sofa. TheA/B ring junction configuration isquasi-trans in the case of (I) andquasi-cis in (II). The above differences can be explained by the different intermolecular interactions observed in these two structures.

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Pyżalska, D., Gawron, M. & Borowiak, T. Conformational analysis of 13-hydroxy-α-isolupanine epimers. Journal of Crystallographic and Spectroscopic Research 13, 31–41 (1983). https://doi.org/10.1007/BF01666794

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  • DOI: https://doi.org/10.1007/BF01666794

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