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Updated: Feb 13, 2026

High Pressure Single Crystal Diffraction at PX^2
Published on: January 16, 2017
Confirmation of the absolute configuration of Stachybotrin C using single-crystal X-ray diffraction analysis of its
Yu Kuroda1, Keiko Hasegawa1, Keiichi Noguchi2
1Department of Applied Biological Science, Tokyo University of Agriculture and Technology, 3-5-8 Saiwai-cho, Fuchu-shi, Tokyo, 183-8509, Japan.
Abstract:
The absolute configuration of Stachybotrin C was confirmed in this study. After synthesizing the dimethyl ethers of Stachybotrin C, the C-8 epimer was analyzed by 1D NOESY. However, the stereochemistry determination was difficult through the NOE correlations. Instead, the di(4-bromobenzyl) ether of Stachybotrin C was derived and used for X-ray diffraction analysis, because its single crystal was easier to obtain than that of the original Stachybotrin C. The stereochemistry of Stachybotrin C was determined to be (8S, 9R). This derivatization approach may also be used to prepare single crystals of the analogues.
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