ChemInform Abstract: Application of 1,n-ADEQUATE and Modified Variants to Structure Elucidation and Spectral Assignment Problems

ChemInform ◽  
2016 ◽  
Vol 47 (22) ◽  
Author(s):  
Gary E. Martin ◽  
Mikhail Reibarkh ◽  
Alexei V. Buevich ◽  
Kirill A. Blinov ◽  
R. Thomas Williamson
Keyword(s):  
Structure Elucidation ◽  
Assignment Problems ◽  
Spectral Assignment

Application of 1,n-ADEQUATE and Modified Variants to Structure Elucidation and Spectral Assignment Problems

2014 ◽  
pp. 215-234 ◽  
Author(s):  
Gary E. Martin ◽  
Mikhail Reibarkh ◽  
Alexei V. Buevich ◽  
Kirill A. Blinov ◽  
R. Thomas Williamson
Keyword(s):  
Structure Elucidation ◽  
Assignment Problems ◽  
Spectral Assignment

Structure elucidation and spectral assignment of analogs of navelbine® (8′-noranhydrovinblastine)

1995 ◽  
Vol 32 (4) ◽  
pp. 1255-1259 ◽  
Author(s):  
Timothy D. Spitzer ◽  
Daniel W. Reynolds ◽  
Ronald C. Crouch ◽  
John P. Shockcor ◽  
Robert L. Johnson ◽  
...  
Keyword(s):  
Structure Elucidation ◽  
Spectral Assignment

Complete1H and13C NMR spectral assignment of pentacyclo [6.4.0.02,6.05,9.04,12]dodecane derivatives and structure elucidation of pentacyclo [6.4.0.02,6.03,11.05,9]dodecane

1993 ◽  
Vol 31 (6) ◽  
pp. 578-584 ◽  
Author(s):  
F. J. C. Martins ◽  
G. H. Coetzee ◽  
L. Fourie ◽  
H. J. Venter ◽  
A. M. Viljoen ◽  
...  
Keyword(s):  
Structure Elucidation ◽  
Spectral Assignment

Structure Revision and Cytotoxic Activity of the Scabrosin Esters, Epidithiopiperazinediones from the Lichen Xanthoparmelia scabrosa

1999 ◽  
Vol 52 (4) ◽  
pp. 279 ◽  
Author(s):  
Michael A. Ernst-Russell ◽  
John A. Elix ◽  
Christina L. L. Chai ◽  
David C. R. Hockless ◽  
Alanna M. Hurne ◽  
...  
Keyword(s):  
Cytotoxic Activity ◽  
Cell Line ◽  
Structure Elucidation ◽  
Carcinoma Cell ◽  
Spectroscopic Methods ◽  
Two Dimensional ◽  
Human Breast ◽  
X Ray ◽  
Structure Revision ◽  
Spectral Assignment

The scabrosin esters (1){(4), isolated from the lichen Xanthoparmelia scabrosa, were reanalysed by modern one- and two-dimensional n.m.r. spectroscopic methods, including 15N n.m.r. spectroscopy, and single-crystal X-ray structural analysis. This reinvestigation has resulted in the unambiguous structure elucidation and complete spectral assignment of these metabolites and established them to be a family of epidithiopiperazinedione derivatives. A new scabrosin ester, scabrosin butyrate hexanoate (5), has also been isolated and its structure determined, including assignment of absolute configuration. Several scabrosins were found to exhibit potent cytotoxic activity against the murine P815 mastocytomia cell line (IC50 c. 0·5 µM) and the human breast MCF7 carcinoma cell line (IC50 c. nM). Compounds which contain a dithiopiperazinedione moiety have not previously been identified in lichenized fungi.

The measurement of 1JCH values from broad-band decoupled 13C N.M.R. spectra: application to the spectral assignment of cis-Pinan-2-ol

1982 ◽  
Vol 35 (12) ◽  
pp. 2561 ◽  
Author(s):  
JW Blunt ◽  
PJ Steel
Keyword(s):  
Chemical Shift ◽  
Pulse Sequence ◽  
Spin Echo ◽  
Broad Band ◽  
Delay Period ◽  
Assignment Problems ◽  
Chemical Shift Data ◽  
Time Required ◽  
Shift Data ◽  
Spectral Assignment

1JCH values, together with chemical shift data and definite information on the number of protons attached to each carbon in a compound, are available from just three spin-echo Fourier-transform 13C n.m.r. spectra by employing the pulse sequence θ-τ-180�-τ-180�-f.i.d., in which the broad-band proton decoupler is gated off during the first delay period, and with τ values of 6, 8 and 9 ms. The experimental time required for collecting these three spectra will be somewhat less than the total time required for the usual procedures for obtaining the chemical shift data and for attempting to obtain carbon multiplicity and 1JCH data. Recent assignment problems with cis-pinan-2-ol are unambiguously resolved by this technique.

Structure elucidation and NMR spectral assignment of five new xanthones from the bark of Garcinia xanthochymus

2008 ◽  
Vol 46 (12) ◽  
pp. 1180-1184 ◽  
Author(s):  
Yu Chen ◽  
Fangfang Zhong ◽  
Hongwu He ◽  
Yun Hu ◽  
Dan Zhu ◽  
...  
Keyword(s):  
Structure Elucidation ◽  
Garcinia Xanthochymus ◽  
Spectral Assignment

Structure elucidation and complete NMR spectral assignment of an unusual aromatic monacolin analog from Monascus purpureus -fermented rice

2011 ◽  
Vol 49 (3) ◽  
pp. 129-131 ◽  
Author(s):  
Ming-Tao Liu ◽  
Jin-Jie Li ◽  
Xiao-Ya Shang ◽  
Shuai Li ◽  
Ling-Ling Li ◽  
...  
Keyword(s):  
Structure Elucidation ◽  
Monascus Purpureus ◽  
Spectral Assignment

Structure elucidation and complete NMR spectral assignment of two triterpenoid saponins from Radix Hedysari

Fitoterapia ◽  
2009 ◽  
Vol 80 (2) ◽  
pp. 127-129 ◽  
Author(s):  
Yi Liu ◽  
Yuying Zhao ◽  
Hubiao Chen ◽  
Bin Wang ◽  
Qingying Zhang
Keyword(s):  
Structure Elucidation ◽  
Triterpenoid Saponins ◽  
Spectral Assignment
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