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09:26
Cellular Lipid Extraction for Targeted Stable Isotope Dilution Liquid Chromatography-Mass Spectrometry Analysis
Published on: November 17, 2011
3α-Hydr-oxy-N-(3-hydroxy-prop-yl)-5β-cholan-24-amide
Arto Valkonen1, Juha Koivukorpi, Manu Lahtinen
1University of Jyväskylä, Department of Chemistry, PO Box 35, FIN-40014 Jyväskylä, Finland.
Summary
This study details a novel lithocholic acid derivative, revealing its unique molecular structure and potential for polymorphism. Further analysis confirmed its crystalline structure and hydrogen bonding characteristics.
Area of Science:
- Organic Chemistry
- Crystallography
- Biochemistry
Background:
- Lithocholic acid is a naturally occurring bile acid.
- Derivatives of bile acids are explored for various applications.
- Understanding molecular structure is key to predicting properties.
Purpose of the Study:
- To characterize the crystal structure of a novel (3-hydroxy-propyl)amide derivative of lithocholic acid.
- To investigate the hydrogen bonding network within the crystal.
- To explore the potential for polymorphism in this compound.
Main Methods:
- Single-crystal X-ray diffraction was used to determine the molecular structure.
- The crystal structure was analyzed for intra- and inter-molecular interactions.
- Simulated X-ray powder patterns were compared to experimental data to assess polymorphism.
Main Results:
- The compound, C(27)H(47)NO(3), possesses a fused four-ring system with specific conformations.
- Intra-molecular O-H⋯O and inter-molecular O-H⋯O/N-H⋯O hydrogen bonds were identified.
- Evidence suggests the existence of at least two polymorphic forms.
Conclusions:
- The study provides a detailed structural characterization of a lithocholic acid derivative.
- The identified hydrogen bonding patterns are comparable to related bile acid derivatives.
- The compound exhibits potential for polymorphism, requiring further investigation.
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