Carb-oxy-methyl ursolate monohydrate.
Acta Crystallographica. Section E, Structure Reports Online
|April 28, 2011
Summary
This study details the crystal structure of a penta-cyclic triterpene hydrate. The molecule
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure
Background:
- Penta-cyclic triterpenes are complex natural products with diverse biological activities.
- Understanding their three-dimensional structure is crucial for structure-activity relationship studies.
Purpose of the Study:
- To elucidate the crystal structure of a specific penta-cyclic triterpene hydrate (C(28)H(50)O(5)·H(2)O).
- To analyze the conformational preferences of the triterpene skeleton and intermolecular interactions in the solid state.
Main Methods:
- Single-crystal X-ray diffraction analysis was performed on the title compound.
- The crystal structure was solved and refined to determine atomic positions and bonding.
Main Results:
- The penta-cyclic triterpene skeleton was confirmed to adopt chair conformations in all six-membered rings.
- Intermolecular interactions, specifically O-H⋯O and C-H⋯O hydrogen bonds, were identified, linking molecules in the crystal lattice.
Conclusions:
- The study provides precise structural information on this penta-cyclic triterpene hydrate.
- The observed hydrogen bonding network offers insights into the solid-state packing and stability of the compound.
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