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Publications in Scientific Journals:

L. Czollner, U. Jordis, K. Mereiter:
"(3β,18β,20β)-N-Ethoxycarbonylmethyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate";
Acta Crystallographica Section E: Structure Reports, E68 (2012), 2 pages.



English abstract:
Abstract: The title compound, C34H52N2O7ĚCH4O, is the methanol solvate of a difunctionalized derivative of the therapeutic agent 18-glycyrrhetinic acid, a pentacyclic triterpene. The five six-membered rings of the glycyrrhetinic acid moiety show normal geometries, with four rings in chair conformations and the unsaturated ring in a half-chair conformation. This moiety is substituted by a nitrate ester group and an O-ethylglycine group. In the crystal, the nonsolvent molecules are packed parallel to (010) in a herringbone fashion with the nitrato, ethylglycine and methanol-O atom being proximate. The methanol solvent molecule is anchored via a donated O-HOacyl and an accepted N-HO hydrogen bond, giving rise to infinite zigzag chains of hydrogen bonds parallel to [100]. Two weak intermolecular C-HO interactions to the methanol and to an acyl oxygen establish links along [100] and [010], respectively.


"Official" electronic version of the publication (accessed through its Digital Object Identifier - DOI)
http://dx.doi.org/10.1107/S1600536812012561


Created from the Publication Database of the Vienna University of Technology.