Premium
Spectral study of a new dihydroisocoumarin
Author(s) -
Wang H. M.,
Shi W.,
Xu Y. K.,
Liu Y.,
Lü M. J.,
Pan J. Q.
Publication year - 2003
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1211
Subject(s) - heteronuclear molecule , chemistry , two dimensional nuclear magnetic resonance spectroscopy , chloroform , heteronuclear single quantum coherence spectroscopy , mass spectrometry , stereochemistry , nuclear magnetic resonance spectroscopy , crystallography , spectroscopy , organic chemistry , chromatography , physics , quantum mechanics
A novel dihydroisocoumarin, 3,4‐dihydro‐6,8‐dihydroxy‐3‐(2′‐acetyl‐3′‐hydroxy‐5′‐methoxy)methyl‐1 H ‐[2]benzopyran‐1‐one, was isolated from the chloroform extract of the sap of the traditional herb Aloe vera . Its structure was determined by high‐resolution negative fast atom bombardment mass spectrometry (MS), 2D NMR spectroscopy and x‐ray crystallography. The molecular structure was elucidated by 2D NMR analysis. The complete assignment of the 1 H and 13 C NMR spectra of this compound was performed by using 1 H detected one‐bond heteronuclear multiple quantum correlation (HMQC) and long‐range (two and three bonds) heteronuclear multiple quantum bond correlation (HMBC) experiments. Detailed analyses of the one‐ and two‐dimensional NMR techniques are presented in additional to the spectral properties (MS, IR and UV). Copyright © 2003 John Wiley & Sons, Ltd.