Jiangsu Key Laboratory of Bioactive Natural Product Research, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, People's Republic of China.
J Nat Prod. 2024 Jan 26;87(1):38-49. doi: 10.1021/acs.jnatprod.3c00725. Epub 2024 Jan 11.
var. is a plant possessing abundant withanolides, but in-depth research is lacking. In our ongoing study of var. , 15 previously undescribed withanolides (-), along with 21 known analogs (-), were isolated from the whole plant. The structures of the withanolides (-) were elucidated based on analysis of their 1D and 2D NMR, HRESIMS, and ECD data. Additionally, the application of γ-gauche effects with the help of ROESY correlations led to the formulation of empirical rules for withanolides with 14-OH/15-OAc to rapidly determine the 14-OH orientations, making it possible to propose configurational revisions of 19 previously reported analogs (-). Withanolides , -, and showed potent cytotoxic activities against three human cancer cell lines (HCT-116, MDA-MB-231, and A549).
var. 是一种含有丰富的 withanolides 的植物，但深入的研究还很缺乏。在我们对 var. 的持续研究中，从整株植物中分离出了 15 种以前未描述的 withanolides（-），以及 21 种已知的类似物（-）。根据 1D 和 2D NMR、HRESIMS 和 ECD 数据分析，阐明了 withanolides（-）的结构。此外，利用γ-扭曲效应和 ROESY 相关的帮助，制定了具有 14-OH/15-OAc 的 withanolides 的经验规则，以快速确定 14-OH 取向，从而有可能对 19 种以前报道的类似物（-）提出构象修订。Withanolides 、-和-对三种人癌细胞系（HCT-116、MDA-MB-231 和 A549）表现出强烈的细胞毒性活性。
