Issue 10, 1980

Crystal and molecular structure of melampodin B, a 4,5-cis-9,10-trans-germacranolide sesquiterpene dilactone

Abstract

The crystal and molecular structure of melampodin B, C17H18O7, has been determined by single crystal X-ray diffraction. Crystals are monoclinic, P21, a= 9.714(4), b= 6.922(1), c= 12.503(1)Å, β= 106.76(1)°, Z= 2. The structure was refined to an R value of 3.0% over 1 871 total reflections. The cyclodeca-4,5-cis-9,10-trans-diene ring is in a conformation theoretically derivable from a cyclodeca-4,5-cis-1,10-cis-diene precursor, as determined by empirical force field calculations. Lactone rings are fused to the cyclodecadiene at C(6)–C(7) and at C(8)–C(10). Intermolecular hydrogen bonds between the hydroxy group and a lactone carbonyl oxygen atom link molecules in the solid.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1980, 1425-1428

Crystal and molecular structure of melampodin B, a 4,5-cis-9,10-trans-germacranolide sesquiterpene dilactone

F. R. Fronczek, S. F. Watkins, N. H. Fischer and J. W. Klimash, J. Chem. Soc., Perkin Trans. 2, 1980, 1425 DOI: 10.1039/P29800001425

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