AI Article Synopsis
- - A conformational study of branimycin was conducted using single-crystal X-ray crystallography to analyze its solid-state structure and NMR spectroscopy along with molecular modeling for its solution structure.
- - The comparison between the crystal and solution structures showed no significant differences, indicating that the tricyclic system of branimycin is relatively rigid.
- - The experimental results prompted a revision of the previously proposed stereochemistry of branimycin at the 17-C position.
Article Abstract
A conformational study of branimycin was performed using single-crystal X-ray crystallography to characterize the solid-state form, while a combination of NMR spectroscopy and molecular modeling was employed to gain information about the solution structure. Comparison of the crystal structure with its solution counterpart showed no significant differences in conformation, confirming the relative rigidity of the tricyclic system. However, these experiments revealed that the formerly proposed stereochemistry of branimycin at 17-C should be revised.
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| http://dx.doi.org/10.1021/acs.orglett.6b00044 | DOI Listing |
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