Software-assisted methodology for complete assignment of 1H and 13C NMR data of poorly functionalized molecules: The case of the chemical marker diterpene ent‑copalic acid.

2020 ◽  
pp. 129439
Author(s):  
Alexsandro Eurípedes Ferreira ◽  
Ana Carolina Ferreira Soares Rocha ◽  
Jairo Kenupp Bastos ◽  
Vladimir Constantino Gomes Heleno
Keyword(s):  
13C Nmr ◽  
Chemical Marker ◽  
1H And 13C Nmr ◽  
Nmr Data ◽  
Complete Assignment

scholarly journals The NMR Spin Systems of Scutellaria 8β,13-Epoxy-neo-clerod-3-en-15,16-olides and Revision of 1H and 13C NMR Spectra Reported Data

2020 ◽  
Vol 15 (10) ◽  
pp. 1934578X2093378
Author(s):  
Josep Coll Toledano
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Spin Systems ◽  
13C Nmr Spectra ◽  
1H And 13C Nmr ◽  
Nmr Data ◽  
Reported Data ◽  
New Compounds ◽  
C Nmr ◽  
Shielding Effects

The present review of NMR spectroscopic structural elucidation data of new compounds isolated from Scutellaria species is focused on the title compounds, displaying a peculiar 13-spiro feature. It contains a compilation of 1H and 13C NMR data of these diterpenoids grouped by similar substitution patterns. Comparing shielding effects pointed out not only the identity of some compounds (already reported) but also potential misassignments and convenient revisions to get unambiguous structural proposals.

Mechanism of proton conductivity in polyvinyl alcohol-phenolsulfonic acid membranes from 1H and 13C NMR data

2009 ◽  
Vol 45 (4) ◽  
pp. 374-381 ◽  
Author(s):  
V. I. Volkov ◽  
A. I. Rebrov ◽  
E. A. Sanginov ◽  
E. M. Anokhin ◽  
S. L. Shestakov ◽  
...  
Keyword(s):  
Polyvinyl Alcohol ◽  
Proton Conductivity ◽  
13C Nmr ◽  
1H And 13C Nmr ◽  
Nmr Data

Synthesis and complete assignment of the 1H and 13C NMR signals of new acetamido and aminoflavonoid derivatives

2010 ◽  
Vol 48 (9) ◽  
pp. 738-744
Author(s):  
Gilles Casano ◽  
Maxime Robin ◽  
Pascale Barbier ◽  
Vincent Peyrot ◽  
Robert Faure
Keyword(s):  
13C Nmr ◽  
1H And 13C Nmr ◽  
Complete Assignment ◽  
Nmr Signals

Synthesis and complete assignment of the 1H and 13C NMR spectra of 6-substituted and 2,6-disubstituted pyridazin-3(2H)-ones

2011 ◽  
Vol 49 (7) ◽  
pp. 437-442 ◽  
Author(s):  
Pedro Besada ◽  
Tamara Costas ◽  
Noemi Vila ◽  
Carla Chessa ◽  
Carmen Terán
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
13C Nmr Spectra ◽  
1H And 13C Nmr ◽  
Complete Assignment

scholarly journals 1H and 13C NMR spectral assignments of an amino acid-coumarin hybrid

2013 ◽  
Vol 11 (1) ◽  
pp. 101-107
Author(s):  
Vidoslav Dekic ◽  
Biljana Dekic ◽  
Niko Radulovic
Keyword(s):  
Spectral Analysis ◽  
Amino Acid ◽  
13C Nmr ◽  
Chemical Shifts ◽  
1H And 13C Nmr ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts ◽  
Complete Assignment ◽  
Acid Derivate ◽  
Coumarin Amino Acid

Synthesis and detailed spectral analysis of a new 4-substituted coumarin-amino acid derivate are presented in this paper. A new glycine derivate of (3-nitro-2-oxo-2H-chromen-4-yl)amino]acetate was prepared by condensation of 4-chloro-3-nitrocoumarin and ethyl glycinate hydrochloride. The complete assignment of 1H and 13C NMR chemical shifts of the synthesized compound was carried out by the aid of a combination of 1D (1H and 13C NMR) and 2D (1H-1H-COSY, NOESY, HSQC and HMBC) NMR experiments.

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