The conformation of agerol, a ten-membered-ring sesquiterpene fron Achillea ageratum, has been investigated by means of NMR and molecular mechanics calculations (GEMO program). The more stable formis very similar to that previously determined foe the corresponding diepoxide and accounts for the reactivity of the molecule. The minimization strain-energy procedure has been extended to compounds obtained by rearrangement of the cyclodecane skeleton of agerol.
Conformational Aspects of Agerol, A Ten-Membered-Ring Sesquiterpene / Bellesia, Franco; Pagnoni, Ugo Maria; A., Pinetti; R., Trave. - In: GAZZETTA CHIMICA ITALIANA. - ISSN 0016-5603. - STAMPA. - 108:(1978), pp. 39-44.