Hu Jun, Yu Libing, Wang Ruji, Ju Yong
Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology, Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 10;65(Pt 7):o1547. doi: 10.1107/S1600536809020996.
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 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.