3?-Hydroxy-28-norolea-12,17-dien-11-one.

ABSTRACT: The title compound, C29H44O2, was formed by treatment of 11-oxooleanolic acid under strong alkaline conditions. The absolute structure of the chiral mol-ecules could not be determined reliably from the diffraction data, but is known from other triterpenes. The asymmetric unit consists of two mol-ecules, 1 and 2. In both mol-ecules, rings A and B show chair conformations. The other rings show mixed forms between envelope and half-chair conformations with atoms in positions 8, 15 and 21 forming the flaps in rings C, D and E, respectively. Rings D and E of mol-ecule 2 are disordered over two orientations, with occupancies of 0.557?(4) and 0.443?(4), which differ in the direction of the flap in ring E. In the crystal, mol-ecules 1, as well as the mol-ecules 2, are linked by O-H?O hydrogen bonds, forming chains parallel to the b axis.

SUBMITTER: Seebacher W 

PROVIDER: S-EPMC4158528 | biostudies-literature | 2014 Aug

REPOSITORIES: biostudies-literature