Journal Title
Title of Journal: J Chem Crystallogr
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Abbravation: Journal of Chemical Crystallography
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Authors: Wei Zhou JiYang Li MeiQing Feng Pei Zhou
Publish Date: 2008/06/27
Volume: 39, Issue: 2, Pages: 99-103
Abstract
20Oβdglucopyranosyl20Sprotopanaxadiol I has been isolated as a metabolite of ginseng saponins by Paecilomyces bainier The crystal structure of I was also investigated by single crystal Xray diffraction analysis It crystallizes in the monoclinic space group P21 with a = 1599 2 3 Å b = 11960 19 Å c = 20127 3 Å β = 10185 4° and V = 37675 11 Å3 Z = 4 R int = 01129 ωRF 2 = 01749 F000 = 1448 The title compound is a dammaranetype triterpenoid and the four rings of this compound connect with each other in trans characteristicswith the threesixmembered rings in chair conformation and the fivemembered ring adopting envelope one A βdglucopyranosyl group and a 2methyl2pentenyl group connect to C20 of S configuration The space symmetrical motif is adopted and each packing unitcell contains two symmetrical compound I molecules and four H2O molecules The hydrogenbonding both intra and intermolecular interactions play a major role in this structural associationWe gratefully acknowledge financial support from the National Nature Science Foundation of China Grant 30772676 We sincerely thank Jie Sun of the Shanghai Institute of Organic Chemistry Chinese Academy of Sciences CAS for Xray crystallographic assistanceCCDC 621605 contains the supplementary crystallographic data for this paper These data can be obtained free of charge at wwwccdccamacuk/conts/retrievinghtml or from the Cambridge Crystallographic Data Centre CCDC 12 Union Road Cambridge CB2 1EZ UK fax +441223336033 email depositccdccamacuk
Keywords:
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