Metabolites produced by the Scleroderris canker fungus, Gremmeniellaabietina. Part 3. Some further metabolites

1987 ◽  
Vol 65 (4) ◽  
pp. 754-759 ◽  
Author(s):  
William A. Ayer ◽  
M. Soledade Pedras
Keyword(s):  
Fatty Acids ◽  
New Brunswick ◽  
Nmr Spectra ◽  
Sodium Bisulfite ◽  
The Other ◽  
Air Oxidation ◽  
Sterol Esters ◽  
Greenish Yellow ◽  
Ethereal Diazomethane ◽  
C Nmr

This article describes the metabolites of a strain of Gremmeniellaabietina (Lagerb.) Morelet indigenous to Alberta. This strain does not produce the phenalenone derived metabolites isolated from the other strains of G. abietina examined to date. Only fatty acids and esters, glycerides, and sterol esters were produced. This raises a question regarding the identity of this particular strain. A greenish-yellow metabolite named Scleroderris green, isolated from a New Brunswick strain of G. abietina, is shown to have structure 12. Scleroderris green (12) is structurally related to Scleroderris blue (4) and is produced when the latter compound is reduced with sodium bisulfite. Air oxidation of Scleroderris green (12) gives rise to Scleroderris blue (4). The structure of compound 12 was established by a study of the 13C nmr spectra of the three pentamethyl derivatives (8, 9, and 10) produced when 12 is treated with ethereal diazomethane. It is suggested that the greenish discoloration of the wood of Scleroderris infected pine may be due to the presence of compound 12.

17O and 13C NMR spectra of some geminal diacetates

1988 ◽  
Vol 53 (3) ◽  
pp. 588-592 ◽  
Author(s):  
Antonín Lyčka ◽  
Josef Jirman ◽  
Jaroslav Holeček
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Chemical Shifts ◽  
The Other ◽  
13C Nmr Spectra ◽  
Other Hand ◽  
Carboxylic Esters ◽  
C Nmr ◽  
Oxygen Atoms

The 17O and 13C NMR spectra of eight geminal diacetates RCH(O(CO)CH3)2 derived from simple aldehydes have been measured. In contrast to the dicarboxylates R1R2E(O(CO)R3)2, where E = Si, Ge, or Sn, whose 17O NMR spectra only contain a single signal, and, on the other hand, in accordance with organic carboxylic esters, the 17O NMR spectra of the compound group studied always exhibit two well-resolved signals with the chemical shifts δ(17O) in the regions of 183-219 ppm and 369-381 ppm for the oxygen atoms in the groups C-O and C=O, respectively.

Interactions de l'ion Ag+ avec la glutarimide

1984 ◽  
Vol 62 (7) ◽  
pp. 1287-1291 ◽  
Author(s):  
Johanne Perron ◽  
André L. Beauchamp
Keyword(s):  
Infrared Spectroscopy ◽  
Infrared Spectrum ◽  
Nmr Spectra ◽  
The Other ◽  
Mirror Plane ◽  
Bond Orders ◽  
X Ray Diffraction ◽  
Complex Species ◽  
X Ray ◽  
C Nmr

The 1:1 complex formed between Ag+ ions and glutarimide was investigated by X-ray diffraction, infrared spectroscopy, and 1H and 13C nmr. The crystals are monoclinic, C2/c, a = 13.497(3) Å, b = 9.503(2) Å, c = 9.600(4) Å, β = 92.30(3)°, Z = 4 molecules per cell. The structure was refined on 1086 nonzero [Formula: see text] reflections to R = 0.027. One half of the Ag atoms are linearly coordinated to the N atoms of two deprotonated glutarimide ligands, whereas the other half are surrounded by an approximate tetrahedron of four carbonyl oxygens belonging to two adjacent [Glu–Ag–Glu]− units. The [Glu–Ag–Glu]− groups are joined by tetrahedrally coordinated Ag atoms into infinite chains along the c axis. Complexation introduces a number of changes in the infrared spectrum of glutarimide. They can be related to the disappearance of the N—H vibrator and the change of bond orders in the —C(O)—N—C(O)— portion of the ligand. The nmr spectra show that coordinated glutarimide retains a mirror plane when the Ag complex is dissolved in DMSO. This suggests that the O-bonded Ag atoms dissociate to a large extent in solution, leaving the linear [Glu–Ag–Glu]− ions as the major glutarimide complex species.

Triferrocenylborane – Molecular Structure in Solution and in the Solid State

1995 ◽  
Vol 50 (2) ◽  
pp. 201-204 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Udo Dörfler ◽  
Wolfgang Milius ◽  
Max Herberhold
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Low Temperature ◽  
Single Crystal ◽  
Nmr Spectra ◽  
The Other ◽  
X Ray ◽  
Single Diastereomer ◽  
Structure In Solution ◽  
C Nmr

According to a single crystal X-ray structure determination all three ferrocenyl substituents of triferrocenylborane (1) adopt the same orientation with respect to the BC3-plane [P21/c monoclinic; Z = 4; a = 1353.5(3), b = 1695.6(3), c = 1056.4(2) pm, β = 109.27(3)°]. The simulated X-ray powder pattern of the single crystal is identical with the powder diagram of a macroscopic sample, indicating the presence of a single diastereomer (1a) in the solid state. However, at low temperature (< - 95 °C) in solution, the 13C NMR spectra suggest the presence of the second diastereomer (1b) in which one ferrocenyl group is oriented opposite to the other two with respect to the central BC3-plane.

Photochemische Reaktionen von Übergangsmetall-Olefin-Komplexen, II Die Umsetzung von Tricarbonyl-η-1.3.5-cycloheptatrien-chrom(O) mit substituierten Fulvenen /Photochemical Reactions of Transition Metal Olefin Complexes, II The Reaction of Tricarbonyl-η-1,3,5-cycloheptatriene-chromium(O) with Substituted Fulvenes

1978 ◽  
Vol 33 (11) ◽  
pp. 1285-1290 ◽  
Author(s):  
Cornelius G. Kreiter ◽  
Hans Kurz
Keyword(s):  
Transition Metal ◽  
Mass Spectra ◽  
Nmr Spectra ◽  
Uv Light ◽  
Photochemical Reactions ◽  
The Other ◽  
Chelate Ligand ◽  
Chromium Complex ◽  
High Yields ◽  
C Nmr

Abstract When tricarbonyl-η-1,3,5-cycloheptatriene-chromium(O) (1) and 6,6-dimethylfulvene or tricarbonyl-η-6,6-dimethylfulvene-chromium(O) and 1,3,5-cyeloheptatriene are irradiated with UV light, a red crystalline dicarbonyl-chromium complex with an η3 -1′,2′,3′-(2-cyclohepta-2′, 4′ -dien 1′ ,6′-ylene)-η5 (2-cyclopentadienylidene)propane chelate ligand, Cr(CO)2C15H18 (2), is formed in high yields. Under the same conditions, 1 with 6,6-diphenylfulvene yields two isomeric complexes. One of them, Cr(CO)3C25H22 (3), is analoguous to 2 and contains the η3 -1′,2′,3′-cyclohepta-2′,4′-dien-1′ ,6′ / -ylene-η5 -cyclopentadienylidene-diphenyl-methane chelate ligand. The other one is the dicarbonyl η3 -1′,2′,3′-cyclohep-tatrienyl- η5 diphenylmethylcyclopentadienyl-chromium(O), Cr(CO)2(C7H7)(Ci8H15) (4). The complexes were characterized by analysis and mass spectra. The structures are based on IR, and 1H and 13C NMR spectra. Einführung

Characterization of the ionic clathrate hydrate of tetra-n-butylammonium acrylate

2015 ◽  
Vol 93 (9) ◽  
pp. 954-959 ◽  
Author(s):  
Sanehiro Muromachi ◽  
Masato Kida ◽  
Satoshi Takeya ◽  
Yoshitaka Yamamoto ◽  
Ryo Ohmura
Keyword(s):  
Nmr Spectra ◽  
Clathrate Hydrate ◽  
Unit Cell ◽  
The Other ◽  
X Ray Diffraction ◽  
X Ray ◽  
Lattice Water ◽  
C Nmr ◽  
The Ideal

The ionic clathrate hydrate of tetra-n-butylammonium (TBA) acrylate was characterized using single-crystal X-ray diffraction, elemental analysis, and nuclear magnetic resonance (NMR) spectroscopy. The crystal structure of TBA acrylate was Jeffrey’s type III and tetragonal P42/n, with a 33.076(7) × 33.076(7) × 12.170(2) Å3 unit cell. The volume of the unit cell was 13315(5) Å3, which is almost twice that of the ideal structure. The TBA cation was disordered and located in two types of fused cages. Although the acrylate anion was located in a pentagonal dodecahedral cage neighboring the TBA cation, there is a residual acrylate anion that could be around the other TBA cation in the unit cell. Solid-state 13C NMR spectra showed that the TBA cation was clearly disordered at 173 K, but not at 239 K. NMR peaks from the acrylate anion were not observed at either temperature. This is probably because of the strong restriction on the acrylate anion by hydrogen bonding with the lattice water. Some of the characteristics of the anion and cation of the ionic guest incorporated in the hydrate structure have yet to be defined. Further research is needed to clarify complexation of the ionic clathrate hydrate and the ionic guest, and the resulting structure.

The Electron Effect of Aromatic Group: Control Conformation of 2-Aromatic Cyclododecanone Derivatives

2020 ◽  
Vol 24 (10) ◽  
pp. 1139-1147
Author(s):  
Yang Mingyan ◽  
Wang Daoquan ◽  
Wang Mingan
Keyword(s):  
1H Nmr ◽  
13C Nmr ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
The Other ◽  
Repulsive Interaction ◽  
X Ray Diffraction ◽  
X Ray ◽  
Electron Effect ◽  
Group Control

2-Phenylcyclododecanone and 2-cyclohexylcyclododecanone derivatives were synthesized and characterized by 1H NMR, 13C NMR, HR-ESI-MS and X-ray diffraction. Their preferred conformations were analyzed by the coupling constants in the 1H NMR spectra and X-ray diffraction, which showed the skeleton ring of these derivatives containing [3333]-2-one conformation, and the phenyl groups were located at the side-exo position of [3333]-2-one conformation due to the strong π-π repulsive interaction between the π- electron of benzene ring and π-electron of carbonyl group. The cyclohexyl groups were located at the corner-syn or the side-exo position of [3333]-2-one conformation depending on the hindrance of the other substituted groups. The π-π electron effect played a crucial role in efficiently controlling the preferred conformation of 2-aromatic cyclododecanone and the other 2-aromatic macrocyclic derivatives with the similar preferred square and rectangular conformations.

Conformational structure of ethylene glycol dibenzoate. Vibrational and NMR spectra

1981 ◽  
Vol 46 (8) ◽  
pp. 1913-1929 ◽  
Author(s):  
Bohdan Schneider ◽  
Pavel Sedláček ◽  
Jan Štokr ◽  
Danica Doskočilová ◽  
Jan Lövy
Keyword(s):  
Ethylene Glycol ◽  
Vibrational Spectra ◽  
Nmr Spectra ◽  
Coupling Constants ◽  
Conformational Structure ◽  
Infrared And Raman Spectra ◽  
H Nmr ◽  
Liquid States ◽  
Crystalline Forms ◽  
C Nmr

It was found that three crystalline forms of ethylene glycol dibenzoate can be prepared. Infrared and Raman spectra of these three forms, as well as of the glassy and liquid states, were measured. From 3JHH coupling constants obtained by analysis of the 13C satellite band of the -CH2- group in 1H NMR spectra, and from the 3JCH coupling constants of the -CO.O.CH2- fragment obtained by analysis of the carbonyl band in 13C NMR spectra it was found that in the liquid state the -CH2-CH2- group exists predominantly in the gauche conformational structure, and the bonds C-O-C-C assume predominantly a trans orientation. The results of the analysis of NMR and vibrational spectra were used for the structural interpretation of conformationally sensitive bands in vibrational spectra of ethylene glycol dibenzoate.

13C NMR spectra of 1-aryl-ferrocenylethylenes

1986 ◽  
Vol 51 (3) ◽  
pp. 670-676 ◽  
Author(s):  
Eva Solčániová ◽  
Štefan Toma ◽  
Tibor Liptaj
Keyword(s):  
13C Nmr ◽  
Nmr Spectra ◽  
Substituent Effects ◽  
13C Nmr Spectra ◽  
Bridge Group ◽  
C Nmr ◽  
Electron Effects

13C NMR spectra of 18 ferrocene analogues of trans stilbenes (1-aryl-2-ferrocenylethylenes) were measured. It was found that bridge group weakens the transfer of the substituent electron effects into ferrocene nucleus, especially distinctly into 3',4'positions of cyclopentadienyl ring. The transfer of substituent effects into β-position of the bridge -CH=CH- is greater in derivatives studied by us than in stilbenes. Synthesis of 1-(4-dimethylaminophenyl)-2-ferrocenylethylene is described.

The synthesis and stereochemistry of the ternary cobalt(III) complex with a stereospecific ligand derived from (S)-leucine

1986 ◽  
Vol 51 (2) ◽  
pp. 318-326 ◽  
Author(s):  
Milan Strašák ◽  
Pavol Novomeský
Keyword(s):  
Ir Spectroscopy ◽  
Aqueous Medium ◽  
Absorption Spectroscopy ◽  
Absolute Configuration ◽  
Nmr Spectra ◽  
Methyl Groups ◽  
Electron Absorption Spectroscopy ◽  
Electron Absorption ◽  
C Nmr

A new stereospecific ligand, ethylenediamine-N,N'-di(S)-α-isocapronic acid, was synthesized by condensation of (S)-leucine with 1,2-dibromoethane in alkaline aqueous medium. It follows from the 1H and 13C NMR spectra that the terminal methyl groups are chemically and magnetically nonequivalent. Of the four theoretically possible isomers of the ternary cobalt (III) complex with ethylenediamine, separation on catex yielded only one, whose absolute configuration was determined by a combination of 1H and 13C NMR, electron absorption spectroscopy and CD and IR spectroscopy.

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