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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.

Crystal Structure of Acetyl 29-Methyl-29-methylidene-D:C-friedoolean-8-en-3β-ol