X-ray structure of 6-deoxymikanokryptin, a new guaianolide from vernonia scorpiodes pers: 3-Oxo -1α, 7α, 8β,(H) -guaia-4(5), 11(13)-dien-8, 12-olide

Abstract

X-ray structure of 6-deoxymikanokryptin, a new guaianolide from vernonia scorpiodes pers: 3-Oxo -1α, 7α, 8β,(H) -guaia-4(5), 11(13)-dien-8, 12-olide. (Gómez Caraballo, Dora María; Rivera, Valentina; Rodulfo de Gil, Eldrys; Vogler de Valeri, Brigita y Triana, Jorge)

Abstract

C15H18O3, Mr = 246.31, orthorhombic, P212121,

a = 10.800(3), b = 9.685(3), c = 12.704(4)A, V = 1329 A3, Z = 4, Dm = 1.24, Dx = 1.232 Mg m-3, λ(Mo Kα) = 0.71069 A, μ =0.049 mm-1, F(000) = 528, T = 295 K, R = 0.055 for 952 unique reflections with I >3σ(I). The crystal structure consists of discrete molecules in which the seven-membered ring has a chair conformation as expected for the cycloheptane ring in mikanokryptins. The cyclopentene ring is planar and the ϒ-lactone ring, which is trans fused, has an envelope conformation.

Artículo publicado en: Revista Acta Cryst (1987).