5-(2,3-Dihydroxy-3-methylbutoxy)-7H-furo[3,2-g]chromen-7-one

Abstract

Key indicatorsSingle-crystal X-ray study T = 293 K Mean (C-C) = 0.003 Å Disorder in main residue R factor = 0.043 wR factor = 0.113 Data-to-parameter ratio = 12.1For details of how these key indicators were automatically derived from the article, see

Single Crystal X-ray Diffraction, Spectroscopic and Mass Spectrometric Studies of Furanocoumarin Peucedanin

“…In the peucedanin molecular structure the furanocoumarin core is typical for compounds of this type [15,21]. The methoxy group is not in the plane with the molecule.…”

“…Although the structure of this compound was elucidated by comparison with literature 1 H NMR [12,13] and 13 C NMR [7,14] spectroscopic data, extensive 2D NMR study and also the three dimensional crystallographic structure of this furanocoumarin has not been established yet. Only one single crystal X-ray structure of a peucedanin derivative (oxypeucedanin hydrate i.e., 5-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2g]chromen-7-one; CCDC entry number 637283) has been published so far [15].…”