X-ray crystallography was used to characterise the title compound for first time, and 1H NMR, 13C NMR IR spectroscopic data from earlier reports were also updated.

A simple method for obtaining 1H–13C HETCOR solid-state NMR spectra reflecting only mediumand long-range 1H–13C correlation peaks is presented. By dephasing the magnetization of protons directly bonded to a 13C nucleus, the short-range correlation peaks, which contain limited structural information, can be cleanly suppressed without reducing the long-range cross peaks significantly. The resulti...

The C-8-(S) isomer of deoxyloganic acid (7-deoxyloganic acid), together with beta-sitosteryl glucoside, five known stereoisomeric pentacyclic oxindole alkaloids and the tetracyclic oxindole isorhyncophylline, were isolated from the inner bark of Uncaria tomentosa. Structures of the isolated compounds were based on 1H and 13C NMR data, mainly 2D NMR experiments, including 1H-13C HMBC and 1H-1H N...

The potential of tobacco waste as a viable source of medicinally important flavonoids like rutin has been investigated. Three flavonoids, apigenin, quercetin and rutin, have been isolated from waste tobacco leaves, and their identities have been confirmed by UV-visible, 1H-NMR and 13C-NMR spectroscopy. By using analytical HPLC, the amount of rutin present in the tobacco leaves, before and after...

Phytochemical investigation of the dichloromethane extract of the dried roots of Ferula badrakema resulted in the identification of one new and six known compounds. Known compounds were sesquiterpene coumarins: mogoltacin, feselol, badrakemin acetate, ferocaulidin, conferone and conferol acetate. The new compound was a sesquiterpene, named badrakemonin. The structures of these compounds were el...

IR, UV-visible spectroscopy, circular dichroism, 1H and 13C NMR studies, high resolution electron impact, field desorption, and fast atom bombardment mass spectral studies are reported for fredericamycin A (NSC-305263), a novel antitumor antibiotic of acid-base indicator type produced by Streptomyces griseus (FCRC-48). The spectral data are correlated with the structure obtained by X-ray crysta...

Determining the accurate chemical structures of synthesized compounds is essential for biomedical studies and computer-assisted drug design. The unequivocal determination of N-adamantylation or N-arylation site(s) in nitrogen-rich heterocycles, characterized by a low density of hydrogen atoms, using NMR methods at natural isotopic abundance is difficult. In these compounds, the heterocyclic moi...

Resolved localized nuclear magnetic resonance (NMR) signals of 1H bound to 13C label in the carbon positions of glutamate C4, C3 and glutamine C4, C3, as well as in aspartate C3, lactate C3, alanine C3, gamma-aminobutyric acid C3, and glucose C1 were simultaneously observed in spectra obtained from rat brain in vivo. Time-resolved label incorporation was measured with a new adiabatic carbon edi...

Methyl groups provide an important source of structural and dynamic information in NMR studies of proteins and their complexes. For this purpose sequence-specific assignments of methyl 1H and 13C resonances are required. In this paper we propose the use of 13C-detected 3D HN(CA)C and HMCMC experiments for assignment of methyl 1H and 13C resonances using a single selectively methyl protonated, p...

Most in vivo 13C NMR spectroscopy studies in the brain have been performed using 1H decoupling during acquisition. Decoupling imposes significant constraints on the experimental setup (particularly for human studies at high magnetic field) in order to stay within safety limits for power deposition. We show here that incorporation of the 13C label from 13C-labeled glucose into brain amino acids ...