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毛茛苷

Ranunculin.

作者信息

Benn Michael, Yelland Lois Jean, Parvez Masood

机构信息

Department of Chemistry, The University of Calgary, 2500 University Drive NW, Calgary, Alberta, Canada T2N 1N4.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 4;66(Pt 10):o2503. doi: 10.1107/S1600536810034847.

DOI:10.1107/S1600536810034847
PMID:21587499
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983359/
Abstract

In the title mol-ecule {systematic name: (5S)-5-[(β-d-gluco-pyranos-yloxy)meth-yl]furan-2(5H)-one}, C(11)H(16)O(8), the five-membered ring is essentially planar, the maximum deviation being 0.0151 (13) Å for the O atom. The six-membered ring adopts a chair conformation with puckering parameters Q = 0.581 (2) Å, θ = 9.0 (2)° and ϕ = 39.7 (13)°, and with all of the substituents of the glucoside unit having normal equatorial orientations. The crystal structure is stabilized by extensive O-H⋯O and C-H⋯O hydrogen bonding, resulting in a three-dimensional network.

摘要

在标题分子{系统名称：(5S)-5-[(β-D-吡喃葡萄糖氧基)甲基]呋喃-2(5H)-酮}，C(11)H(16)O(8)中，五元环基本呈平面状，O原子的最大偏差为0.0151 (13) Å。六元环呈椅式构象，褶皱参数Q = 0.581 (2) Å，θ = 9.0 (2)°，ϕ = 39.7 (13)°，且糖苷单元的所有取代基均具有正常的平伏取向。晶体结构通过广泛的O-H⋯O和C-H⋯O氢键得以稳定，形成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/147d/2983359/94d6fd7a8f52/e-66-o2503-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/147d/2983359/3e0b60f6ecb4/e-66-o2503-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/147d/2983359/94d6fd7a8f52/e-66-o2503-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/147d/2983359/3e0b60f6ecb4/e-66-o2503-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/147d/2983359/94d6fd7a8f52/e-66-o2503-fig2.jpg

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