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(3?,18?,20?)-N-Eth-oxy-carbonyl-methyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate.

ABSTRACT: The title compound, C(34)H(52)N(2)O(7)·CH(4)O, is the methanol solvate of a difunctionalized derivative of the therapeutic agent 18?-glycyrrhetinic acid, a penta-cyclic 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-ethyl-glycine group. In the crystal, the nonsolvent mol-ecules are packed parallel to (010) in a herringbone fashion with the nitrato, ethyl-glycine and methanol-O atom being proximate. The methanol solvent mol-ecule is anchored via a donated O-H?O(ac-yl) and an accepted N-H?O hydrogen bond, giving rise to infinite zigzag chains of hydrogen bonds parallel to [100]. Two weak intermolecular C-H?O interactions to the methanol and to an acyl oxygen establish links along [100] and [010], respectively.

SUBMITTER: Czollner L

PROVIDER: S-EPMC3344161 | biostudies-literature | 2012 Apr

REPOSITORIES: biostudies-literature

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(3β,18β,20β)-N-Eth-oxy-carbonyl-methyl-3-nitrato-11-oxoolean-12-ene-29-carboxamide methanol monosolvate.

Czollner Laszlo L Jordis Ulrich U Mereiter Kurt K

Acta crystallographica. Section E, Structure reports online 20120331 Pt 4

The title compound, C(34)H(52)N(2)O(7)·CH(4)O, is the methanol solvate of a difunctionalized derivative of the therapeutic agent 18β-glycyrrhetinic acid, a penta-cyclic 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-ethyl-glycine group. In the crystal, the nonsolvent mol-ecules are packed para ...[more]

PMID: 22606164

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