Received 31 July 2009
Four of the five six-membered rings of the title pentacylic triterpene, C31H48O3, adopt chair conformations; the fifth, which has a C=C double bond, adopts an approximate envelope conformation.
The structure was previously refined to an R-index of 0.043 but atomic coordinates were not published. The reported room-temperature cell [8.109 (1), 8.618 (1), 39.148 (1) Å] is slightly larger; see: de Vivar et al. (1985). For the synthesis, see: Honda et al. (1997); Ma et al. (2005); Zhao et al. (2007).
Data collection: APEX2 (Bruker, 2008); cell refinement: SAINT (Bruker, 2008); data reduction: SAINT; program(s) used to solve structure: SHELX97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: publCIF (Westrip, 2009).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: XU2575 ).
We thank the University of Malaya for supporting this study.
Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Honda, T., Finlay, H. & Gribble, G. W. (1997). J. Nat. Prod. 60, 1174-1177.
Ma, C.-M., Cai, S.-Q., Chui, J. R., Wang, R.-Q., Tu, P.-F., Hattori, M. & Daneshtalab, M. (2005). Eur. J. Med. Chem. 40, 582-589.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Vivar, A. R. de, González, J. M., Perez, C. & Ana, L. (1985). Rev. Latinoam. Quim. 16, 51-52.
Westrip, S. P. (2009). publCIF. In preparation.
Zhao, L.-X., Liu, N.-N., Pei, X.-J., Liu, D.-F. & Liu, D.-Z. (2007). Liaoning Shifan Daxue Xuebao, Ziran Kexueban, 30, 476-479.