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Related Experiment Videos

Structure of asperketal B.

X Ji1, D van der Helm, J Shin

  • 1Department of Chemistry and Biochemistry, University of Oklahoma, Norman 73019.

Acta Crystallographica. Section C, Crystal Structure Communications
|May 15, 1992
PubMed
Summary

The crystal structure of asperketal B, a C20H30O2 molecule, was determined. This natural product features a cyclodecadiene ring fused to a bicyclic ketal system.

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Area of Science:

  • Natural Product Chemistry
  • Crystallography
  • Organic Chemistry

Background:

  • Asperketal B is a complex organic molecule with a unique bicyclic structure.
  • Understanding the precise three-dimensional arrangement of atoms is crucial for its chemical and biological characterization.

Purpose of the Study:

  • To elucidate the crystal structure of asperketal B.
  • To determine the relative configurations of stereocenters within the molecule.

Main Methods:

  • Single-crystal X-ray diffraction analysis was performed.
  • The crystal system was determined to be orthorhombic with space group P2(1)2(1)2(1).
  • Refinement of the structure yielded R = 0.031 and wR = 0.027.

Main Results:

  • The molecular formula was confirmed as C20H30O2 with a molecular weight of 302.46 g/mol.
  • The structure consists of a cyclodecadiene ring cis-fused to a bicyclic ketal system.
  • Relative configurations at C(1), C(10), C(11), and C(12) were established as 1S*, 10R*, 11R*, and 12R*.

Conclusions:

  • The crystal structure of asperketal B has been definitively determined.
  • The study provides precise stereochemical information essential for further research on asperketal B.

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