Revision of the Structure of Hypatulone A by NMR, Computations, and Biosynthetic Considerations

doi:10.1021/acs.orglett.9b04666

	Revision of the Structure of Hypatulone A by NMR, Computations, and Biosynthetic Considerations
	Yang, Xing-Wei1 ; Grossman, Robert B.2
通讯作者	Yang, Xing-Wei(yangxingwei@mail.kib.ac.cn) ; Grossman, Robert B.(robert.grossman@uky.edu)
	2020-01-17
发表期刊	ORGANIC LETTERS
ISSN	1523-7060
卷号	22 期号:2 页码:760-763
摘要	Recently, a paper in this journal reported the isolation and structure determination of hypatulone A. Several features of the proposed structure and biosynthesis induced us to reexamine the compound's NMR spectra. Now we propose a revised structure, confirm it with quantum computations, and suggest a reasonable radical-mediated biosynthetic pathway to the revised structure. Our work illustrates how both biosynthetic considerations and quantum computations can complement spectroscopic structure determination.
DOI	10.1021/acs.orglett.9b04666
收录类别	SCI ; SCI
语种	英语
WOS记录号	WOS:000508468200086
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/70478
专题	植物化学与西部植物资源持续利用国家重点实验室
通讯作者	Yang, Xing-Wei; Grossman, Robert B.
作者单位	1.Chinese Acad Sci, Kunming Inst Bot, Kunming, Yunnan, Peoples R China 2.Univ Kentucky, Lexington, KY 40506 USA
推荐引用方式 GB/T 7714	Yang, Xing-Wei,Grossman, Robert B.. Revision of the Structure of Hypatulone A by NMR, Computations, and Biosynthetic Considerations[J]. ORGANIC LETTERS,2020,22(2):760-763.
APA	Yang, Xing-Wei,&Grossman, Robert B..(2020).Revision of the Structure of Hypatulone A by NMR, Computations, and Biosynthetic Considerations.ORGANIC LETTERS,22(2),760-763.
MLA	Yang, Xing-Wei,et al."Revision of the Structure of Hypatulone A by NMR, Computations, and Biosynthetic Considerations".ORGANIC LETTERS 22.2(2020):760-763.