Anonymous published the artcileModified clerodanes from the essential oil of Dodonea viscosa leaves, Computed Properties of 6259-76-3, the main research area is Dodonea leaf essential oil clerodane computational model; Dodonea viscosa; bicyclo[5.4.0]undecane skeleton; density functional theory; electronic circular dichroism; essential oil; furanoid (nor)diterpenes.
Dodonea viscosa (L.) Jacq from Reunion Island (Indian Ocean) was investigated for its leaf essential oil composition The plant was extracted by hydrodistillation and its essential oil analyzed by gas chromatog. coupled to mass spectrometry. This study revealed that oxygenated norditerpenes and diterpenes were one of the major chem. classes (> 50%) mainly consisting of three modified cyclopropylclerodanes containing a bicyclo[5.4.0]undecane ring system: one new furanoid norditerpene, dodovisate C, and two furanoid diterpenes, the known Me dodovisate A and the new Me iso-dodovisate A. These three compounds were isolated by liquid chromatog. and their structures established on the basis of spectroscopic studies. The absolute configuration of dodovisate C was elucidated through a joint exptl. and theor. (B3LYP/6-311+G(d,p)) electronic CD study. The relative configurations of Me dodovisate A and Me iso-dodovisate A were determined using linear regressions of theor. chem. shifts vs. exptl. values with the (B3LYP/6-311+G(d,p)) method.
Molecules published new progress about Bond angle, dihedral. 6259-76-3 belongs to class esters-buliding-blocks, name is Hexyl 2-hydroxybenzoate, and the molecular formula is C13H18O3, Computed Properties of 6259-76-3.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics