Conformational study of (8α,8′β)-bis(substituted phenyl)-lignano-9,9'-lactones by means of combined computational, database mining, NMR, and chemometric approaches

Journal of Physical Chemistry A

Volumn 111, Issue 28, 2007, Pages 6316-6333

  Kiralj, Rudolf ^a   Ferreira, Márcia M C ^a   Donate, Paulo M ^b   Da Silva, Rosangela ^b   Albuquerque, Sergio ^b  

^a UNIVERSITY OF CAMPINAS   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CONFORMATIONS; DATA MINING; DATABASE SYSTEMS; NUCLEAR MAGNETIC RESONANCE;

CHEMOMETRIC APPROACHES; COMBINED COMPUTATIONAL METHODS; CONFORMATIONAL ANALYSIS; DATABASE MINING;

KETONES;

(8'BETA) (3',4' METHYLENEDIOXYBENZYL) GAMMA BUTYROLACTONE; (8'BETA)-(3',4'-METHYLENEDIOXYBENZYL)-GAMMA-BUTYROLACTONE; 1,3 DIOXOLANE DERIVATIVE; DRUG DERIVATIVE; GAMMA BUTYROLACTONE; HINOKININ; LIGNAN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; FACTUAL DATABASE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

4-BUTYROLACTONE; DATABASES, FACTUAL; DIOXOLES; LIGNANS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY;

EID: 34547499035     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp066746m     Document Type: Article

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