2026-10-14T03:54:34Z https://api.figshare.com/v2/oai

oai:figshare.com:article/32613411 2026-09-17T07:03:22Z category_826 category_4 category_851 portal_81 item_type_3 month_year_09_2026

Complete Biosynthesis of the Clinical Agent Escin Ia(Raw NMR and LC-MS Datasets) Huihua Wan (24153796) Mofan Zhang (24153821) Ranran Gao (22058174) Xuehua Xie (24153830) meng xiangxiao (13934406) Songchun Guan (24153833) Weiqiang Chen (24153862) Xue Cao (24153865) Wei Yang (24153866) Hui Yao (24153868) Chen Qin (24153869) YinDi Zhu (24153872) Yi Zhang (24153874) Zhaohua Shi (24153875) Xiang Chen (24153878) Lichun Ye (24153881) Huiyuan Gao (24153884) Shilin Chen (19570355) Zhichao Xu (16681055) Sun Wei (13971375) Analytical Chemistry not elsewhere classified Biochemistry Natural Products Chemistry NMR spectra assignment Escin Ia biosynthetic intermediates LC-MS data sets This dataset provides the raw, unedited NMR spectroscopic data (including 1H, 13C, and relevant 2D spectra) to support the structural elucidation of 22α-hydroxy-erythrodiol (7), 22α-hydroxy-oleanolic acid (8), and 21β,22α-dihydroxy-erythrodiol (10) as reported in the manuscript. Additionally, it includes the raw LC-MS/MS profiles employed to functionally validate the key enzymes—including CYPs, UGTs, CCLs, and BAHDs—involved in the biosynthetic pathway of escin Ia. All datasets are provided in their original instrument formats within the compressed folder; specifically, the NMR spectra can be processed and analyzed using standard software such as MestReNova or TopSpin, while the LC-MS/MS datasets can be viewed and interpreted via Agilent MassHunter Qualitative Analysis software. 2026-09-17T07:03:22Z Dataset Dataset 10.6084/m9.figshare.32613411.v1 https://figshare.com/articles/dataset/Complete_Biosynthesis_of_the_Clinical_Agent_Escin_Ia_Raw_NMR_and_LC-MS_Datasets_/32613411 CC BY 4.0