Structure elucidation of the designer drug N -(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-fluoropentyl)-3-(4-fluorophenyl)-pyrazole-5-carboxamide and the relevance of predicted 13 C NMR shifts - a case study

2015 ◽  
Vol 8 (7) ◽  
pp. 668-675 ◽  
Author(s):  
Ulrich Girreser ◽  
Peter Rösner ◽  
Andrej Vasilev
Keyword(s):  
Structure Elucidation ◽  
Designer Drug ◽  
C Nmr

Notizen: Reaction Product of Formaldehyd and O-Benzylhydroxylamine: A Schiff Base?

1984 ◽  
Vol 39 (8) ◽  
pp. 1154-1155 ◽  
Author(s):  
Johannes Respondek
Keyword(s):  
Schiff Base ◽  
Structure Elucidation ◽  
Nmr Spectra ◽  
C Nmr

Abstract200 MHz 1H and 50 MHz 13C NMR spectra were recorded from the reaction product of form aldehyd 1 and O -benyzlhydroxylamine 2 for the purpose of its structure elucidation

scholarly journals Two New Ballonigrin-type Diterpenoids from the Roots of Ballota limbata

2012 ◽  
Vol 7 (2) ◽  
pp. 1934578X1200700
Author(s):  
Umar Farooq ◽  
Afsar Khan ◽  
Ather Farooq Khan ◽  
Saleha Suleman Khan ◽  
Rizwana Sarwar ◽  
...  
Keyword(s):  
Structure Elucidation ◽  
2D Nmr ◽  
C Nmr

Two new ballonigrin type lactone diterpenoids, named ballonigrin lactone A and B, have been isolated from the roots of Ballota limbata. Structure elucidation of the isolated compounds was based on spectroscopic {IR, 1H- and 13C-NMR, and 2D-NMR (HMQC, HMBC, COSY and NOESY} and EI-MS data.

Triacylglycerols, Fucosterol, Diacylglyceroglycolipids and Fucoxanthin from Fucus virsoides

1994 ◽  
Vol 49 (9) ◽  
pp. 1297-1304 ◽  
Author(s):  
G. Falsone ◽  
F. Cateni ◽  
E. Vrech ◽  
L. Birkofer ◽  
V. Lucchini ◽  
...  
Keyword(s):  
Structure Elucidation ◽  
Normal Phase ◽  
Flash Chromatography ◽  
H Nmr ◽  
Marine Compounds ◽  
Brown Macroalga ◽  
Phase Column ◽  
C Nmr

From the marine brown macroalga Fucus virsoides J. AG. (Fucales, Phaeophyceae), a mixture of triacylglycerols 1 -3, fucosterol 4, a mixture of galactosyldiacylglycerols 5-8 and fucoxanthin 9 have been isolated. Normal phase column flash chromatography was effective for the isolation of the marine compounds. FAB-MS, CI-MS spectrometry, 1H NMR, 13C NMR, 1H-1H COSY and 1H-13C COSY experiments were useful in providing informations for their structure elucidation

Cardenolide aus Ornithogalum nutans (2 n = 28), 1. Mitteilung / Cardenolides from Ornithogalum nutans (2 n = 28), Part

1992 ◽  
Vol 47 (10) ◽  
pp. 1444-1458 ◽  
Author(s):  
Roland Ferth ◽  
Andreas Baumann ◽  
Wolfgang Robien ◽  
Brigitte Kopp
Keyword(s):  
Acid Hydrolysis ◽  
Column Chromatography ◽  
Structure Elucidation ◽  
European Species ◽  
H Nmr ◽  
First Time ◽  
Hydrolysis Of ◽  
C Nmr

From leaves and bulbs of Ornithogalum nutans L. (2 n = 28), seventeen cardenolides were isolated by column chromatography, DCCC and TLC. The structure elucidation was performed by means of 1H NMR, 13C NMR, HH-Cosy, HC-Cosy and FAB-MS studies and identification of the sugar moieties by GLC after acid hydrolysis of the cardenolides. Sugar compounds were identified as digitoxose, 3-acetyl-digitoxose, 2-deoxy-allose, 6-deoxy-allose, rhamnose, xylose and apiose. Glycosides of 7β,15β, 16 α-trihydroxy-uzarigenin, 8β,16 α-dihy-droxy, 15-oxo-uzarigenin, 3 β, 11β-dihydroxy, 12-oxo, 18-nor-5 α-card-13-enolid, 11 α-hydroxygitoxigenin, 12-oxo,8, 14β-epoxy-uzarigenin, 8β-hydroxy, 15-oxo-uzarigenin and 12β-hydroxy-oleandrigenin are described for the first time, the presence of oleandrigenin-glycosides in the genus Ornithogalum was not known until now. Ornithogalum nutans L. shows a different cardenolide pattern from the second European species of the section Myogalum (LINK) PETERM. - Ornithogalum boucheanum (KUNTH) ASCHERS.

Stoffwechselprodukte von Mikroorganismen, XXIX [1] 13C-NMR-Spektren hochsubstituierter Naturstoffe vom Phthalid-Typ / Investigations on Metabolites of Microorganisms, XXIX [1] 13C NMR Spectra of Highly Substituted Natural Products of the Phthalide Type

1985 ◽  
Vol 40 (3) ◽  
pp. 426-428 ◽  
Author(s):  
Hans Achenbach ◽  
Andreas Mühlenfeld ◽  
Dieter Hunkler
Keyword(s):  
Natural Products ◽  
13C Nmr ◽  
Structure Elucidation ◽  
Nmr Spectra ◽  
13C Nmr Spectra ◽  
Substituted Benzenes ◽  
C Nmr

Since the usual 13C shift increments are not applicable for very highly substituted benzenes, the 13C NMR spectra of 3-O-ethyl-cyclopolic acid (1) and 2 were studied and fully analyzed. These results were essential for the structure elucidation of a number of new highly substituted phthalides recently isolated from cultures of Aspergillus duricaulis [3].

Natural Products Containing the Oxetane and Related Moieties Present Additional Challenges for Structure Elucidation: A DU8+ Computational Case Study

2019 ◽  
Vol 84 (12) ◽  
pp. 7575-7586 ◽  
Author(s):  
Andrei G. Kutateladze ◽  
Tina Holt ◽  
D. Sai Reddy
Keyword(s):  
Natural Products ◽  
Structure Elucidation

Evaluation of photodissociation spectroscopy as a structure elucidation tool for isolated clusters: a case study of Ag4+ and Au4+

2013 ◽  
Vol 15 (45) ◽  
pp. 19715 ◽  
Author(s):  
A. Shayeghi ◽  
R. L. Johnston ◽  
R. Schäfer
Keyword(s):  
Structure Elucidation
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