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. 2024 Sep 17;9(Pt 9):x240885.
doi: 10.1107/S241431462400885X. eCollection 2024 Sep.

(1 R,2 S,4a R,6 S,8 R,8a S)-1-(3-Hy-droxy-propano-yl)-1,3,6,8-tetra-methyl-1,2,4a,5,6,7,8,8a-octa-hydronaphthalene-2-carb-oxy-lic acid

Christo J Botha  1 , Gerda Fouche  1 , Frederick P Malan  2
Affiliations

(1 R,2 S,4a R,6 S,8 R,8a S)-1-(3-Hy-droxy-propano-yl)-1,3,6,8-tetra-methyl-1,2,4a,5,6,7,8,8a-octa-hydronaphthalene-2-carb-oxy-lic acid

Christo J Botha et al. IUCrdata. .

Abstract

The mol-ecular structure of C18H28O4, (+)-diplodiatoxin, is described, whereby the absolute configuration of the structure of diplodiatoxin has been confirmed by single-crystal X-ray diffraction. Diplodiatoxin crystallizes in the chiral P43212 space group with one mol-ecule in the asymmetric unit.

Keywords: absolute configuration; crystal structure; diplodiatoxin.

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Figures

Figure 1
Figure 1
Perspective view of the mol­ecular structure of the title compound showing displacement ellipsoids at the 50% probability level. Only one disorder component is shown.
Figure 2
Figure 2
Perspective view of diplodiatoxin indicating the modelled disorder. Displacement ellipsoids are displayed at the 50% probability level. Hydrogen atoms are omitted for clarity.
Figure 3
Figure 3
Packing diagram viewed along the a axis, indicating hydrogen bonds by cyan lines.
See this image and copyright information in PMC

References

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    1. Masango, M. G., Ferreira, G. C. H., Ellis, C. E., Elgorashi, E. E. & Botha, C. J. (2014). Toxicon, 82, 26–29. - PubMed

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