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A Strategy for Sensitive, Large Scale Quantitative Metabolomics
14:18

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Published on: May 27, 2014

Oleanolic acid ethanol monosolvate.

Anna Froelich, Andrzej K Gzella

    Acta Crystallographica. Section E, Structure Reports Online
    |May 19, 2011
    PubMed
    Summary
    This summary is machine-generated.

    This study details the crystal structure of oleanolic acid ethanol monosolvate, revealing two independent molecules and disordered solvent. Hydrogen bonds stabilize the packing of this triterpenoid compound.

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    Area of Science:

    • Chemistry
    • Crystallography
    • Organic Chemistry

    Background:

    • Oleanolic acid is a naturally occurring triterpenoid with various biological activities.
    • Understanding its crystal structure is crucial for its chemical and pharmaceutical applications.

    Purpose of the Study:

    • To characterize the crystal structure of oleanolic acid ethanol monosolvate.
    • To analyze the molecular conformation and intermolecular interactions within the crystal.

    Main Methods:

    • Single-crystal X-ray diffraction was employed to determine the crystal structure.
    • Analysis of the asymmetric unit, hydrogen bonding, and molecular conformations was performed.

    Main Results:

    • The crystal structure consists of two symmetry-independent oleanolic acid molecules and two ethanol solvent molecules.
    • Intermolecular hydrogen bonds stabilize the crystal packing.
    • Oleanolic acid molecules exhibit specific ring conformations (chair, distorted envelope) and cis-fusion in rings D and E.
    • Ethanol solvent molecules show orientational disorder.

    Conclusions:

    • The crystal structure of oleanolic acid ethanol monosolvate has been successfully elucidated.
    • The study provides insights into the solid-state behavior and intermolecular interactions of oleanolic acid.
    • The findings contribute to the understanding of triterpenoid crystal engineering and polymorphism.