Abstract
The structure of the title compound, a cyclic ether acetate lactone, has been established uniquely by X-ray crystallography. C16H24O4 is orthorhombic, space groupP212121, with the cell dimensionsa=7.524(2),b=10.686(2),c=19.472(2) Å,V=1565.6(4) Å3,Z=4,M r=280.4,D x=1.19 g cm−3,D o=1.20 g cm−3,F(000)=608,T=293 K, finalR=0.050. The two cyclohexane ring junction iscis while the lactone ring junction istrans. Both the cyclohexane rings have the chair conformation and the γ-lactone ring has an envelope conformation with C(7) being at the tip of the flap. The acetoxy side chain isα-equatorial. There is an intramolecular C-H---O interaction C(4)⋯O(4)=2.666(4) Å.
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N. C. L. Communication No. 5064.
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Puranik, V.G., Dhaneshwar, N.N., Tavale, S.S. et al. Crystal and molecular structure of 12(S)-acetoxy-4(S),8(R)-dimethyl-3-oxo-1(R)-5(S)-9(S)-2-oxatricyclo[4.4.7.01,9.3.4.8.01,5]tridecane. Journal of Crystallographic and Spectroscopic Research 21, 547–551 (1991). https://doi.org/10.1007/BF01161075
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DOI: https://doi.org/10.1007/BF01161075