Literature DB >> 27396835

Application of a computer-assisted structure elucidation program for the structural determination of a new terpenoid aldehyde with an unusual skeleton.

Xing-Nuo Li1,2, Clark D Ridge3, Eugene P Mazzola4, Jianghao Sun2, Osvaldo Gutierrez4, Arvin Moser5, Joseph C DiMartino5, Scott A MacDonald5, Pei Chen2.   

Abstract

The structure of a novel compound from Adansonia digitata has been elucidated, and its 1 H and 13 C NMR spectra have been assigned employing a variety of one-dimensional and two-dimensional NMR techniques without degradative chemistry. The Advanced Chemistry Development ACD/Structure Elucidator software was important for determining part of this structure that contained a fused bicyclic system with very few hydrogen atoms, which in turn, exhibited essentially no discriminating HMBC connectivities throughout that portion of the molecule.
Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Entities:  

Keywords:  13C NMR; 1D NMR; 1H NMR; 2D NMR; Adansonia digitata; NMR; baobab; chemical shift assignments; computer-assisted structure elucidation (CASE); natural products

Year:  2016        PMID： 27396835      PMCID： PMC5319920          DOI： 10.1002/mrc.4466

Source DB:  PubMed          Journal:  Magn Reson Chem        ISSN： 0749-1581            Impact factor:   2.447


  8 in total

1.  Dereplication of natural products using minimal NMR data inputs.

Authors:  Russell B Williams; Mark O'Neil-Johnson; Antony J Williams; Patrick Wheeler; Rostislav Pol; Arvin Moser
Journal:  Org Biomol Chem       Date:  2015-10-21       Impact factor: 3.876

2.  Free-radical-scavenging and xanthine oxidase inhibitory constituents from Stereospermum personatum.

Authors:  U Sampath Kumar; Ashok K Tiwari; S Venkat Reddy; P Aparna; R Jagadeeshwar Rao; A Zehra Ali; J Madhusudana Rao
Journal:  J Nat Prod       Date:  2005-11       Impact factor: 4.050

3.  The importance of baobab (Adansonia digitata L.) in rural West African subsistence--suggestion of a cautionary approach to international market export of baobab fruits.

Authors:  Christine Buchmann; Sarah Prehsler; Anna Hartl; Christian R Vogl
Journal:  Ecol Food Nutr       Date:  2010 May-Jun       Impact factor: 1.692

4.  Bioassay-guided isolation of norviburtinal from the root of Rehmannia glutinosa, exhibited angiogenesis effect in zebrafish embryo model.

Authors:  Cheuk-Lun Liu; Ling Cheng; Hin-Fai Kwok; Chun-Hay Ko; Tai-Wai Lau; Chi-Man Koon; Ming Zhao; Ching-Po Lau; Kit-Man Lau; Chun-Wai Wong; Ping-Chung Leung; Kwok-Pui Fung; Clara Bik-San Lau
Journal:  J Ethnopharmacol       Date:  2011-08-05       Impact factor: 4.360

Review 5.  Synthetic challenge to ubiquitous natural products from plant origin: flavan-derived polyphenols.

Authors:  Ken Ohmori
Journal:  Chem Rec       Date:  2011-09-06       Impact factor: 6.771

6.  Computer-Assisted Structure Elucidation of Black Chokeberry (Aronia melanocarpa) Fruit Juice Isolates with a New Fused Pentacyclic Flavonoid Skeleton.

Authors:  C Benjamin Naman; Jie Li; Arvin Moser; Jeffery M Hendrycks; P Annécie Benatrehina; Heebyung Chai; Chunhua Yuan; William J Keller; A Douglas Kinghorn
Journal:  Org Lett       Date:  2015-06-01       Impact factor: 6.005

Review 7.  Baobab food products: a review on their composition and nutritional value.

Authors:  F J Chadare; A R Linnemann; J D Hounhouigan; M J R Nout; M A J S Van Boekel
Journal:  Crit Rev Food Sci Nutr       Date:  2009-03       Impact factor: 11.176

8.  Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation.

Authors:  Chris Lorenc; Josep Saurí; Arvin Moser; Alexei V Buevich; Antony J Williams; R Thomas Williamson; Gary E Martin; Mark W Peczuh
Journal:  ChemistryOpen       Date:  2015-06-17       Impact factor: 2.911
  8 in total

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