Unambiguous determination of conformation and relative configuration of a multiple stereo-centre molecule Rifamycin-S by using scaled residual dipolar couplings: A case study

2013 ◽  
Vol 1053 ◽  
pp. 122-126 ◽  
Author(s):  
Veera Mohana Rao Kakita ◽  
Kavitha Rachineni ◽  
Jagadeesh Bharatam
Keyword(s):  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Relative Configuration ◽  
Unambiguous Determination

Determination of the Relative Configuration of β-Amino Acid Esters Based on Residual Dipolar Couplings

2015 ◽  
Vol 2015 (31) ◽  
pp. 6801-6805 ◽  
Author(s):  
Thomas Niklas ◽  
Christian Steinmetzger ◽  
Weiping Liu ◽  
Daniel Zell ◽  
Dietmar Stalke ◽  
...  
Keyword(s):  
Amino Acid ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Amino Acid Esters ◽  
Relative Configuration ◽  
Acid Esters

scholarly journals Relative configuration of micrograms of natural compounds using proton residual chemical shift anisotropy

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Nilamoni Nath ◽  
Juan Carlos Fuentes-Monteverde ◽  
Dawrin Pech-Puch ◽  
Jaime Rodríguez ◽  
Carlos Jiménez ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Residual Dipolar Couplings ◽  
Chemical Shift Anisotropy ◽  
Dipolar Couplings ◽  
Structural Determination ◽  
Proton Proton ◽  
Relative Configuration ◽  
Similar Information ◽  
3D Molecular Structure

Abstract 3D molecular structure determination is a challenge for organic compounds or natural products available in minute amounts. Proton/proton and proton/carbon correlations yield the constitution. J couplings and NOEs oftentimes supported by one-bond 1H,13C residual dipolar couplings (RDCs) or by 13C residual chemical shift anisotropies (RCSAs) provide the relative configuration. However, these RDCs or carbon RCSAs rely on 1% natural abundance of 13C preventing their use for compounds available only in quantities of a few 10’s of µgs. By contrast, 1H RCSAs provide similar information on spatial orientation of structural moieties within a molecule, while using the abundant 1H spin. Herein, 1H RCSAs are accurately measured using constrained aligning gels or liquid crystals and applied to the 3D structural determination of molecules with varying complexities. Even more, deuterated alignment media allow the elucidation of the relative configuration of around 35 µg of a briarane compound isolated from Briareum asbestinum.

Determination of the Relative Configuration of a Five-Membered Lactone from Residual Dipolar Couplings

2006 ◽  
Vol 45 (27) ◽  
pp. 4455-4460 ◽  
Author(s):  
Christina M. Thiele ◽  
Andreas Marx ◽  
Robert Berger ◽  
Jana Fischer ◽  
Markus Biel ◽  
...  
Keyword(s):  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Relative Configuration

A Novel Method for the Determination of Stereochemistry in Six-Membered Chairlike Rings Using Residual Dipolar Couplings

2003 ◽  
Vol 68 (5) ◽  
pp. 1786-1795 ◽  
Author(s):  
Jiangli Yan ◽  
Allen D. Kline ◽  
Huaping Mo ◽  
Michael J. Shapiro ◽  
Edward R. Zartler
Keyword(s):  
Residual Dipolar Couplings ◽  
Dipolar Couplings ◽  
Novel Method

scholarly journals Determination of the Structures of Symmetric Protein Oligomers from NMR Chemical Shifts and Residual Dipolar Couplings

2011 ◽  
Vol 133 (16) ◽  
pp. 6288-6298 ◽  
Author(s):  
Nikolaos G. Sgourakis ◽  
Oliver F. Lange ◽  
Frank DiMaio ◽  
Ingemar André ◽  
Nicholas C. Fitzkee ◽  
...  
Keyword(s):  
Residual Dipolar Couplings ◽  
Chemical Shifts ◽  
Dipolar Couplings ◽  
Nmr Chemical Shifts

scholarly journals Determination of the Absolute Configuration of 19-OH-(-)-Eburnamonine Using a Combination of Residual Dipolar Couplings, DFT Chemical Shift Predictions, and Chiroptics

2012 ◽  
Vol 7 (6) ◽  
pp. 1934578X1200700 ◽  
Author(s):  
Pablo Trigo-Mouriño ◽  
Roxana Sifuentes ◽  
Armando Navarro-Vázquez ◽  
Chakicherla Gayathri ◽  
Helena Maruenda ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Absolute Configuration ◽  
Residual Dipolar Couplings ◽  
Indole Alkaloid ◽  
Dipolar Couplings ◽  
The Absolute ◽  
Natural Derivative ◽  
High Level ◽  
Configuration And Conformation

19-OH-(-)-eburnamonine 1 is a new indole alkaloid isolated from Bonafusia macrocalyx. A natural derivative from (-)-eburnamonine for which absolute configuration and conformation has been determined by making use of residual dipolar couplings enhanced NMR, circular dichroism spectra and high-level computations.

Residual Dipolar Couplings in Structure Determination of Biomolecules

ChemInform ◽  
2004 ◽  
Vol 35 (45) ◽  
Author(s):  
J. H. Prestegard ◽  
C. M. Bougault ◽  
A. I. Kishore
Keyword(s):  
Structure Determination ◽  
Residual Dipolar Couplings ◽  
Dipolar Couplings
Sign in / Sign up

Export Citation Format

Share Document