Analytical Sciences

Abstract − Analytical Sciences, 19(3), 473 (2003).

Crystal Structure of Acetyl 29-Methyl-29-methylidene-D:C-friedoolean-8-en-3beta-ol
Chie HONDA,*  Wasuke KAMISAKO,* and Yoshihisa MIWA**
*School of Pharmaceutical Sciences, Mukogawa Women's University, 11-68 Koshien Kyuban-cho, Nishinomiya 663-8179, Japan
**Graduate School of Pharmaceutical Sciences, Kyoto University, 46-29 Yoshida Shimoadachi-cho, Sakyo-ku, Kyoto 606-8501, Japan
Acetyl 29-methyl-29-methylidene-D:C-friedoolean-8-en-3beta-ol (2), derived from bryonolic acid (D:C-friedoolean-8-en-3beta-ol-29-oic acid) (1), was crystallographically analyzed. Rings A - E of 2 adopted chair, half-chair, half-chair, boat (with bow and stern at C-13 and C-16), boat (with bow and stern at C-19 and C-22) conformations, respectively. Good agreement was found between the structures from X-ray crystallography and that from MM2 calculations.