Extraction and Crystal Structure of Pedunculoside

• 作者: CHAO Zhi-Mao LIU Hai-Ping SUN Wen TAN Zhi-Gao WANG Chun WU Xiao-Yi
• 来源期刊: 结构化学
• 学科: 化学
• 关键词: 晶体结构 冬青 X-射线衍射分析 标题化合物 提取 苷 吡喃葡萄糖 正交晶系
• 年，卷（期）: 2012,（12）
• 页码范围: 1729-1735
• 页数: 7页
• 分类号: O614.121|TS201.2
• 语种: 英文

摘要

The title compound of pedunculoside (C36H58O10), a main active triterpenoid saponin of Ilicis Rotundae Cortex, was isolated from the dried bark of Ilex rotunda Thunb., and characterized by X-ray diffraction analysis. It crystallizes in the orthorhombic system, space group P212121 with C36H58O10, a = 13.046(3), b = 21.038(4), c = 28.413(6) A, V = 7798.28(3) A3, Z = 8, Dc= 1.109 g/cm3, Mr = 650.82, F(000) = 2832, andμ = 0.080 mm-1. The final R = 0.0765 and wR = 0.1736 for 15117 observed reflections (I 〉 2σ(I)). The molecular crystal structure of pedunculoside shows relative stereochemistry of 3β, 19α,23-trihydroxy-urs- 12-en-28-oic acid-28-O-β-D-glucopy- rainosyl ester. The molecule is composed of one glucopyranosyl ring and five six-membered rings with ring junctures of A/B trans, B/C trans, and D/E cis. There are two C36H50O10 molecules in an asymmetric unit, and the title compound is stacked into a 2D layer structure through hydrogen bonds.

作者信息

序号	姓名	单位	发文数	被引次数	H指数	G指数
1	WANG Chun	中国医学科学院药物研究所	1	0	0.0	0.0
2	CHAO Zhi-Mao	中国医学科学院药物研究所	1	0	0.0	0.0
3	WU Xiao-Yi	中国医学科学院药物研究所	1	0	0.0	0.0
4	SUN Wen	中国医学科学院药物研究所	1	0	0.0	0.0
5	TAN Zhi-Gao	中国医学科学院药物研究所	1	0	0.0	0.0
6	LIU Hai-Ping	中国医学科学院药物研究所	1	0	0.0	0.0