Crystal Structure and Conformational Analysis of Iridoid Glycoside Methylcatalpol

Lei Chen, Binxiao Su, Jingwen Wang, Aidong Wen
2014 Asian Journal of Chemistry  
The crystal structure of methylcatalpol (C16H24O10, Mr = 376.35) has been determined by single crystal X-ray diffraction analysis. The compound crystallizes in the monoclinic crystal system with space group P21 and unit cell parameters: a = 7.5598( 15 ), b = 9.6705( 19 ), c = 12.103(2) Å and Z = 2. Both cyclopentane ring and pyran ring of the compound adopt envelope conformation and Glc moiety exists in chair conformation. The chirality of the asymmetric carbon atoms follows: C1(S), C5(R),
more » ... , C7(S), C8(S), C9(S), C21(S), C22(R), C23(S), C24(S) and C25(R). Moreover, a complex network of hydrogen bonds occurred between neighboring molecules.
doi:10.14233/ajchem.2014.16719 fatcat:d257xaucuneftox3thwjelkeka