Isomeric porphyrin phenanthrenequinones: synthesis, NMR spectroscopy, electrochemical properties, and in situ EPR/ENDOR studies of the o-semiquinone anion radicalsElectronic supplementary information (ESI) available: 1H and 13C NMR data for various phenanthrene derivatives. See http://www.rsc.org./suppdata/p2/b1/b110273g/

2002 ◽  
pp. 455-462 ◽  
Author(s):  
Marcus Speck ◽  
Dominique Niethammer ◽  
Mathias O. Senge
Keyword(s):  
Nmr Spectroscopy ◽  
Electrochemical Properties ◽  
13C Nmr ◽  
Supplementary Information ◽  
1H And 13C Nmr ◽  
Nmr Data

scholarly journals Phenylpropanoids and Polyacetylenes from Ligusticum mutellina (Apiaceae) of Tyrolean Origin

2002 ◽  
Vol 70 (1) ◽  
pp. 101-109 ◽  
Author(s):  
Spitaler Renate ◽  
Ellmerer-Müller Ernst-Peter ◽  
Zidorn Christian ◽  
Stuppner Hermann
Keyword(s):  
Nmr Spectroscopy ◽  
13C Nmr ◽  
Nmr Spectra ◽  
2D Nmr ◽  
2D Nmr Spectroscopy ◽  
Close Inspection ◽  
1H And 13C Nmr ◽  
Nmr Data ◽  
First Time

Roots of Ligusticum mutellina (L.) CRANTZ afforded five major compounds, the phenylpropanoids trans-isoelemicin (1), sarisan (2), and trans-isomyristicin (3), and the polyacetylenes falcarindiol (4) and falcarindiol-3-O-acetate (5). Structures were assigned by 1D- and 2D-NMR spectroscopy. Close inspection of the NMR spectra of falcarindiol-3-O-acetate (5) and comparison with the literature revealed that published NMR data for this compound are most probably attributable to cis or trans Δ2-isofalcarindiol-1-O-acetate (6a/6b). 1H and 13C NMR data for falcarindiol-3-O-acetate are given and trans-isoelemicin (1), sarisan (2), and trans-isomyristicin (3), falcarindiol (4), and falcarindiol-3-O-acetate (5) are reported for the first time from Ligusticum mutellina. Chemosystematic and ethnopharmacological implications of the findings are discussed briefly.

Unexpected Keto-enol Tautomerism in the Cyclopyridinophane Class Direct and indirect proofs

2008 ◽  
Vol 59 (10) ◽  
Author(s):  
Paul Ionut Dron ◽  
Neculai Doru Miron ◽  
Gheorghe Surpateanu
Keyword(s):  
Nmr Spectroscopy ◽  
1H Nmr ◽  
Stable Conformer ◽  
Ph Measurements ◽  
Theoretical Methods ◽  
Nmr Data ◽  
Tautomeric Forms ◽  
New Compounds

The paper presents the synthesis of cyclo (bis-paraquat p-phenylene p-phenylene-carbonyl) tetrakis (hexafluorophosphate), named �CETOBOX�, and the closely related structural determinations. This compound exists in three tautomeric forms. These forms were evidentiated by NMR-data (1H-NMR, TOCSY, COSY, NOESY), UV-Vis spectra coupled with pH measurements and by synthesis. As the �CETOBOX� gives �in situ� only the corresponding monoylide, the synthesis of a new fluorescent indolizine cyclophane has been performed by a 3+2 cycloaddition. All structures of the new compounds presented herein have been established by NMR spectroscopy. Also, theoretical methods (MM3, AM1, AM1-COSMO and B88LYPDFT) have been used to determine the most stable conformer structures.

scholarly journals (2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol

Molbank ◽  
10.3390/m1140 ◽  
2020 ◽  
Vol 2020 (2) ◽  
pp. M1140
Author(s):  
Jack Bennett ◽  
Paul Murphy
Keyword(s):  
Mass Spectrometry ◽  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
13C Nmr ◽  
Conjugate Addition ◽  
13C Nmr Spectroscopy ◽  
One Pot ◽  
1H And 13C Nmr ◽  
Esi Mass Spectrometry ◽  
The One

(2S,3R,6R)-2-[(R)-1-Hydroxyallyl]-4,4-dimethoxy-6-methyltetrahydro-2H-pyran-3-ol was isolated in 18% after treating the glucose derived (5R,6S,7R)-5,6,7-tris[(triethylsilyl)oxy]nona-1,8-dien-4-one with (1S)-(+)-10-camphorsulfonic acid (CSA). The one-pot formation of the title compound involved triethylsilyl (TES) removal, alkene isomerization, intramolecular conjugate addition and ketal formation. The compound was characterized by 1H and 13C NMR spectroscopy, ESI mass spectrometry and IR spectroscopy. NMR spectroscopy was used to establish the product structure, including the conformation of its tetrahydropyran ring.

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