Trichodermin (12,13-ep-oxy-trichethec-9-en-4β-yl 4-fluoro-benzoate)

Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 24;66(Pt 8):o2097. doi: 10.1107/S1600536810028461.

Abstract

IN THE TITLE TRICHODERMIN COMPOUND (SYSTEMATIC NAME: 12,13-ep-oxy-trichothec-9-en-4β-yl 4-fluoro-benzoate), C(22)H(25)FO(4), the five-membered ring displays an envelope conformation, whereas the two six-membered rings show the different conformations, viz. chair and half-chair. As for the seven-membered ring, the dihedral angle between the mean planes formed by the four C atoms of the envelope unit and the three C and one O atoms of the six-membered chair is 68.67 (2)°; these two mean planes are nearly perpendicular to the ep-oxy ring with angles of 87.97 (2)and 88.14 (2)°, respectively.