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Discovery of a new polymorph of dehydroepiandrosterone (prasterone) and solution of its crystal structure from X-ray powder diffraction data

机译:从X射线粉末衍射数据中发现一种新的脱氢表雄酮(普拉甾酮)多晶型物及其晶体结构的溶液

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摘要

A new polymorph of dehydroepiandrosterone, also known as DHEA or prasterone, was found and designated form FVI. Form FVI is anhydrous and nonsolvated, and is less thermodynamically stable than the known form FI under ambient conditions. The X-ray powder diffraction patterns of FI and FVI are so similar that this technique is inadequate to determine if samples contain pure FI, pure FVI, or mixtures of the two. However, the forms can be differentiated by solid-state NMR spectroscopy. The crystal structure of FVI was determined from X-ray powder diffraction data using a combination of proprietary SSCI software and the Cambridge Crystallographic Data Centre's program DASH.
机译:发现了一种新的脱氢表雄酮多晶型物,也称为DHEA或prasterone,其命名为FVI。 FVI形式是无水且非溶剂化的,并且在环境条件下的热力学稳定性低于已知的FI形式。 FI和FVI的X射线粉末衍射图是如此相似,以至于该技术不足以确定样品是否包含纯FI,纯FVI或两者的混合物。但是,可以通过固态NMR光谱区分形式。 FVI的晶体结构是使用专有的SSCI软件和Cambridge Crystallographic Data Center的DASH程序从X射线粉末衍射数据确定的。

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