Laulimalide is one of the newest naturally occurring macrolides known to act as a microtubule stabilizing agent with properties similar to Taxol. It also stands as being one of the most flexible with 18 rotatable bonds. This large number of rotatable bonds allows for approximately 3(18) potential conformers. To examine the conformational energy surface of laulimalide, we have performed an NAMFIS deconvolution analysis for laulimalide in DMSO-d6. The latter has been supplemented with a post-NAMFIS energy analysis at the Becke3LYP/6-31G level that examines the opposing effects of internal hydrogen bonding and syn-pentane interactions. In this way, we have identified 15 laulimalide conformations that can be classified into 5 different families: Supine, Convex, Cobra, Stretch, and Concave motifs.

中文翻译：

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月桂胺在 DMSO-d6 中的构象

Laulimalide 是一种最新的天然存在的大环内酯类化合物，可用作微管稳定剂，其特性类似于紫杉醇。它还具有 18 个可旋转键，是最灵活的键之一。大量的可旋转键允许大约 3(18) 个潜在的构象异构体。为了检查月桂内酯的构象能面，我们对 DMSO-d6 中的月桂内酯进行了 NAMFIS 解卷积分析。后者补充了 Becke3LYP/6-31G 水平的后 NAMFIS 能量分析，该分析检查了内部氢键和同戊烷相互作用的相反影响。通过这种方式，我们确定了 15 种月桂酰胺构象，它们可以分为 5 个不同的家族：仰卧、凸面、眼镜蛇、伸展和凹面图案。