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alpha-Onocerin chloroform hemisolvate.

R Fröhlich1, G F Pauli

  • 1Organisch-Chemisches Institut, Westfälische Wilhelms-Universität, Corrensstrasse 40, D-48149 Münster, Germany. frohlic@nwz.uni.muenster.de

Acta Crystallographica. Section C, Crystal Structure Communications
|December 19, 2000
PubMed
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This study details the structure of alpha-onocerin, a triterpenoid natural product. Its unique molecular architecture features two symmetric trans-decalin units and forms a 2D hydrogen-bonded network.

Area of Science:

  • Natural product chemistry
  • Organic chemistry
  • Crystallography

Background:

  • Triterpenoids are a diverse class of natural products with a wide range of biological activities.
  • Alpha-onocerin is a specific triterpenoid with a complex molecular structure.

Purpose of the Study:

  • To elucidate the precise molecular structure and crystal packing of alpha-onocerin.
  • To characterize the solid-state interactions within the alpha-onocerin chloroform hemisolvate.

Main Methods:

  • Single-crystal X-ray diffraction analysis was employed to determine the structure.
  • Chemical formula and solvate composition were established.

Main Results:

  • The structure of alpha-onocerin was determined as the chloroform hemisolvate (C(30)H(50)O(2).0.5CHCl(3)).

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  • The molecule comprises two symmetrical trans-decalin C(15) building blocks.
  • Infinite two-dimensional hydrogen bond networks were observed, oriented perpendicular to the c axis.

    • Conclusions:

    • The study provides definitive structural data for alpha-onocerin.
    • The observed hydrogen bonding network highlights supramolecular assembly in the solid state.
    • This detailed structural information is crucial for understanding its chemical properties and potential applications.