An attempt to determine the absolute configuration of two ascolactone stereoisomers with time-dependent density functional theory

Chirality

Volumn 18, Issue 6, 2006, Pages 413-418

  Seibert, Simon F ^b   König, Gabriele M ^b   Voloshina, Elena ^a   Raabe, Gerhard ^a   Fleischhauer, Jörg ^a  

^a RWTH AACHEN UNIVERSITY   (Germany)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

Absolute configuration; Ascolactone; CD spectra; Time dependent density functional theory

Indexed keywords

ASCOLACTONE; LACTONE; UNCLASSIFIED DRUG;

ARTICLE; ASCOCHYTA SALICORNIAE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; CHIRALITY; CIRCULAR DICHROISM; DENSITY FUNCTIONAL THEORY; ENANTIOMER; FUNGUS; MARINE ENVIRONMENT; NONHUMAN; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; STEREOISOMERISM; TIME;

CIRCULAR DICHROISM; LACTONES; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE, BIOMOLECULAR; SPECTROPHOTOMETRY, ULTRAVIOLET; STEREOISOMERISM; THERMODYNAMICS;

EID: 33744956052     PISSN: 08990042     EISSN: 1520636X     Source Type: Journal    
DOI: 10.1002/chir.20266     Document Type: Article

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