Quantitative NMR-derived interproton distances combined with quantum mechanical calculations of 13C chemical shifts in the stereochemical determination of conicasterol F, a nuclear receptor ligand from Theonella swinhoei

Journal of Organic Chemistry

Volumn 77, Issue 3, 2012, Pages 1489-1496

  Chini, Maria Giovanna ^a   Jones, Catharine R ^b   Zampella, Angela ^c   D'Auria, Maria Valeria ^c   Renga, Barbara ^d   Fiorucci, Stefano ^d   Butts, Craig P ^b   Bifulco, Giuseppe ^a  

^a UNIVERSITY OF SALERNO   (Italy)

^b UNIVERSITY OF BRISTOL   (United Kingdom)

^c UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^d UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION ASSIGNMENT; DFT CALCULATION; INTER-PROTON DISTANCE; MARINE NATURAL PRODUCTS; MARINE SPONGE; NATURAL PRODUCTS; NMR CHEMICAL SHIFTS; NMR DATA; NUCLEAR RECEPTORS; QUANTUM-MECHANICAL CALCULATION; STRUCTURAL STUDIES; STRUCTURE ELUCIDATION; THEONELLA SWINHOEI; TOTAL SYNTHESIS;

DENSITY FUNCTIONAL THEORY;

CHEMICAL SHIFT;

CELL NUCLEUS RECEPTOR; CONICASTEROL F; NATURAL PRODUCT; UNCLASSIFIED DRUG;

ARTICLE; DENSITY FUNCTIONAL THEORY; ISOLATION PROCEDURE; NONHUMAN; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM MECHANICS; STEREOCHEMISTRY; STRUCTURE ANALYSIS; SYNTHESIS; THEONELLA; THEONELLA SWINHOEI;

ANIMALS; CHOLESTEROL; HEP G2 CELLS; HUMANS; INFLAMMATORY BOWEL DISEASES; LIGANDS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PROTONS; QUANTUM THEORY; RECEPTORS, CYTOPLASMIC AND NUCLEAR; RECEPTORS, STEROID; STEREOISOMERISM; THEONELLA;

EID: 84856637775     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo2023763     Document Type: Article

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