Crystal structure of acetyl 29-methyl-29-methylidene-D:C-friedoolean-8-en-3beta-ol.
Acetyl 29-methyl-29-methylidene-D:C-friedoolean-8-en-3beta-o1 (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 stem at C-19 and C-22) conformations, respectively. Good agreement was found between the structures from X-ray crystallography and that from MM2 calculations.
Honda
Chie
C
School of Pharmaceutical Sciences, Mukogawa Women's University, 11-68 Koshien Kyuban-cho, Nishinomiya 663-8179, Japan.
Kamisako
Wasuke
W
Miwa
Yoshihisa
Y