Application of a New Expert System for the Structure Elucidation of Natural Products from Their 1D and 2D NMR Data

2002 ◽  
Vol 65 (5) ◽  
pp. 693-703 ◽  
Author(s):  
Mikhail E. Elyashberg ◽  
Kirill A. Blinov ◽  
Antony J. Williams ◽  
Eduard R. Martirosian ◽  
Sergey G. Molodtsov
Keyword(s):  
Natural Products ◽  
Expert System ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Nmr Data

Computer-assisted structure elucidation of natural products with limited 2D NMR data: application of the StrucEluc system

2003 ◽  
Vol 41 (5) ◽  
pp. 359-372 ◽  
Author(s):  
Kirill A. Blinov ◽  
Dean Carlson ◽  
Mikhail E. Elyashberg ◽  
Gary E. Martin ◽  
Eduard R. Martirosian ◽  
...  
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Computer Assisted ◽  
Nmr Data ◽  
Data Application ◽  
Computer Assisted Structure Elucidation

Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments

ChemInform ◽  
2004 ◽  
Vol 35 (30) ◽  
Author(s):  
Mikhail E. Elyashberg ◽  
Kirill A. Blinov ◽  
Antony J. Williams ◽  
Sergey G. Molodtsov ◽  
Gary E. Martin ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Expert System ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Molecular Fragments ◽  
Nmr Data

Structure Elucidator: A Versatile Expert System for Molecular Structure Elucidation from 1D and 2D NMR Data and Molecular Fragments

2004 ◽  
Vol 44 (3) ◽  
pp. 771-792 ◽  
Author(s):  
Mikhail E. Elyashberg ◽  
Kirill A. Blinov ◽  
Antony J. Williams ◽  
Sergey G. Molodtsov ◽  
Gary E. Martin ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Expert System ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Molecular Fragments ◽  
Nmr Data

Juglomycins G-J: Isolation from Streptomycetes and Structure Elucidation

2005 ◽  
Vol 60 (2) ◽  
pp. 183-188 ◽  
Author(s):  
R. P. Maskey ◽  
H. Lessmann ◽  
S. Fotso ◽  
I. Grün-Wollny ◽  
H. Lackner ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Absolute Configuration ◽  
Structure Elucidation ◽  
Mass Spectra ◽  
2D Nmr ◽  
Cd Spectra ◽  
Streptomyces Spp ◽  
Nmr Data ◽  
Related Compounds ◽  
Weak Antibacterial Activity

From the Streptomyces spp. 815 and GW4184, four new 4-juglon-2-ylbutyric acid derivatives, the juglomycins G - J (3a, 4a, 4c, 5c), have been isolated and characterised. The structures were derived from the 1D and 2D NMR data and mass spectra and confirmed by comparison with structurally related compounds. The absolute configuration was deduced from the CD spectra. The new natural products exhibited weak antibacterial activity similar to juglomycin A (5a).

ChemInform Abstract: Principles and Applications of Modern 2D NMR Techniques in Structure Elucidation of Complex Natural Products

ChemInform ◽  
2010 ◽  
Vol 23 (42) ◽  
pp. no-no
Author(s):  
ATTA-UR-RAHMAN ATTA-UR-RAHMAN ◽  
M. I. CHOUDHARY ◽  
A. PERVIN
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
2D Nmr ◽  
Nmr Techniques

An expert system for automated structure elucidation utilizing 1 H- 1 H, 13 C- 1 H and 15 N- 1 H 2D NMR correlations

2001 ◽  
Vol 369 (7-8) ◽  
pp. 709-714 ◽  
Author(s):  
K. A. Blinov ◽  
M. E. Elyashberg ◽  
S. G. Molodtsov ◽  
A. J. Williams ◽  
E. R. Martirosian
Keyword(s):  
Expert System ◽  
Structure Elucidation ◽  
2D Nmr

2D-NMR of natural products, part V Structure elucidation and complete1H- and13C-assignment of resin acid derivatives

1984 ◽  
Vol 115 (5) ◽  
pp. 597-603 ◽  
Author(s):  
Ernst Haslinger ◽  
Hermann Kalchhauser ◽  
Wolfgang Robien ◽  
Harald Steindl
Keyword(s):  
Natural Products ◽  
Structure Elucidation ◽  
Resin Acid ◽  
2D Nmr
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