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

doi:10.1021/acs.orglett.9b04666

CORC > 昆明植物研究所 > 中国科学院昆明植物研究所 > 植物化学与西部植物资源持续利用国家重点实验室

	Revision of the Structure of Hypatulone A by NMR, Computations, and Biosynthetic Considerations
	Yang, Xing-Wei 1; Grossman, Robert B.2
刊名	ORGANIC LETTERS
	2020-01-17
卷号	22 期号:2 页码:760-763
ISSN号	1523-7060
DOI	10.1021/acs.orglett.9b04666
通讯作者	Yang, Xing-Wei(yangxingwei@mail.kib.ac.cn) ; Grossman, Robert B.(robert.grossman@uky.edu)
英文摘要	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.
WOS研究方向	Chemistry
语种	英语
WOS记录号	WOS:000508468200086
内容类型	期刊论文
源URL	[http://ir.kib.ac.cn/handle/151853/70477]
专题	昆明植物研究所_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.