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1,2,5-Oxadiazolo[3,4-b]glycyrrhetinic acid.

ABSTRACT: THE TITLE COMPOUND [SYSTEMATIC NAME: 11-oxo-2,3-(oxy-dinitrilo)olean-12-en-29-oic acid], C(30)H(42)N(2)O(4), contains a linear array of five six-membered rings and a five-membered heterocyclic ring. The C ring, containing an ?,?-unsaturated ketone, has a slightly distorted half-chair conformation, as does the A ring, with N-C-C angles 125.3?(5), 111.2?(4), 124.9?(5) and 109.2?(5)°, while the other three six-membered rings adopt chair conformations. The enanti-omer has been assigned by reference to unchanging chiral centres in the synthetic procedure. An intramolecular C-H?O interaction is present. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules.

SUBMITTER: Hu J

PROVIDER: S-EPMC2969501 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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1,2,5-Oxadiazolo[3,4-b]glycyrrhetinic acid.

Hu Jun J Yu Libing L Wang Ruji R Ju Yong Y

Acta crystallographica. Section E, Structure reports online 20090610 Pt 7

THE TITLE COMPOUND [SYSTEMATIC NAME: 11-oxo-2,3-(oxy-dinitrilo)olean-12-en-29-oic acid], C(30)H(42)N(2)O(4), contains a linear array of five six-membered rings and a five-membered heterocyclic ring. The C ring, containing an α,β-unsaturated ketone, has a slightly distorted half-chair conformation, as does the A ring, with N-C-C angles 125.3 (5), 111.2 (4), 124.9 (5) and 109.2 (5)°, while the other three six-membered rings adopt chair conformations. The enanti-omer has been assigned by reference ...[more]

PMID: 21582833

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