Spectral study of a new dihydroisocoumarin

✍ Scribed by H. M. Wang; W. Shi; Y. K. Xu; Y. Liu; M. J. Lü; J. Q. Pan

• Book ID: 102525893
• Publisher: John Wiley and Sons
• Year: 2003
• Tongue: English
• Weight: 110 KB
• Volume: 41
• Category: Article
• ISSN: 0749-1581
• DOI: 10.1002/mrc.1211

✦ Synopsis

Abstract

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.