NMR assignments and single-crystal X-ray diffraction analysis of deoxyloganic acid

• Published in: Magnetic resonance in chemistry Vol. 43; no. 1; pp. 92 - 96
• Main Authors: Teng, Rong Wei, Wang, De Zu, Wu, Yun Shan, Lu, Yang, Zheng, Qi Tai, Yang, Chong Ren
• Format: Journal Article
• Language: English
• Published: Chichester, UK John Wiley & Sons, Ltd 01.01.2005
• Subjects: (E)-caffeic acid; 13C NMR; 1H NMR; 3,4‐dihydroxyl benzoic acid; 4-dihydroxyl benzoic acid; 7-deoxyloganic acid; citrusin C; Iridoids - chemistry; Magnetic Resonance Spectroscopy - methods; Models, Molecular; Molecular Conformation; Morina; Morina nepalensis var. alba Hand.-Mazz; NMR; X-ray diffraction; X-Ray Diffraction - methods
• ISSN: 0749-1581; 1097-458X
• DOI: 10.1002/mrc.1502

7‐Deoxyloganic acid (1), citrusin C (2), 3,4‐dihydroxyl benzoic acid (3) and (E)‐caffeic acid (4) were isolated from the water‐soluble fraction of ethanol extracts of Morina nepalensis var. alba Hand.‐Mazz. and their structures were determined on the basis of spectroscopic evidence. The total assignments of 1H and 13C NMR spectra of 1 in solvents CD3OD, D2O and CDCl3 were reported, in addition to the single‐crystal X‐ray diffraction analysis of its tetraacetate 1a. All compounds were obtained from Morina genus for the first time. Copyright © 2004 John Wiley & Sons, Ltd.