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Vol. 26 No. 24 (2014)

Copyright (c) 2014 Lei Chen1, Binxiao Su2, Jingwen Wang1, Aidong Wen1

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This work is licensed under a Creative Commons Attribution 4.0 International License.

Crystal Structure and Conformational Analysis of Iridoid Glycoside Methylcatalpol

https://doi.org/10.14233/ajchem.2014.16719
Lei Chen1
1Department of Pharmacy, Xijing Hospital Fourth Military Medical University, Xi'an 710032, Shaanxi Province, P.R. China 2Department of Anesthesiology, Xijing Hospital Fourth Military Medical University, Xi'an 710032, Shaanxi Province, P.R. China *Corresponding author: E-mail: chennwu@126.com
Binxiao Su2
1Department of Pharmacy, Xijing Hospital Fourth Military Medical University, Xi'an 710032, Shaanxi Province, P.R. China 2Department of Anesthesiology, Xijing Hospital Fourth Military Medical University, Xi'an 710032, Shaanxi Province, P.R. China *Corresponding author: E-mail: chennwu@126.com
Jingwen Wang1
1Department of Pharmacy, Xijing Hospital Fourth Military Medical University, Xi'an 710032, Shaanxi Province, P.R. China 2Department of Anesthesiology, Xijing Hospital Fourth Military Medical University, Xi'an 710032, Shaanxi Province, P.R. China *Corresponding author: E-mail: chennwu@126.com
Aidong Wen1
1Department of Pharmacy, Xijing Hospital Fourth Military Medical University, Xi'an 710032, Shaanxi Province, P.R. China 2Department of Anesthesiology, Xijing Hospital Fourth Military Medical University, Xi'an 710032, Shaanxi Province, P.R. China *Corresponding author: E-mail: chennwu@126.com

Corresponding Author(s) : Lei Chen1

Asian Journal of Chemistry, Vol. 26 No. 24 (2014)

Abstract

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), C6(S), 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.

Keywords

Iridoid glycoside Methylcatapol Crystal structure.
Chen1, L., Su2, B., Wang1, J., & Wen1, A. (2014). Crystal Structure and Conformational Analysis of Iridoid Glycoside Methylcatalpol. Asian Journal of Chemistry, 26(24), 8274–8276. https://doi.org/10.14233/ajchem.2014.16719
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