Z and e rotamers of N-formyl-1-bromo-4-hydroxy-3-methoxymorphinan-6-one and their interconversion as studied by 1H/13C NMR spectroscopy and quantum chemical calculations

Magnetic Resonance in Chemistry

Volumn 51, Issue 2, 2013, Pages 82-88

  Sulima, Agnieszka ^a,b   Cheng, Kejun ^a   Jacobson, Arthur E ^a   Rice, Kenner C ^a   Gawrisch, Klaus ^c   Lee, Yong Sok ^d  

^a NATIONAL INSTITUTE ON DRUG ABUSE   (United States)

^b NATIONAL HEART LUNG AND BLOOD INSTITUTE   (United States)

^c NATIONAL INSTITUTE ON ALCOHOL ABUSE AND ALCOHOLISM   (United States)

^d NATIONAL INSTITUTES OF HEALTH   (United States)

Author keywords

morphine intermediate; NOE; quantum chemistry; transition state; Z and E rotamers

Indexed keywords

CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; GROUND STATE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM THEORY; TEMPERATURE DISTRIBUTION;

INTERCONVERSIONS; MORPHINE INTERMEDIATE; NMR-SPECTROSCOPY; NOE; QUANTUM CHEMICAL CALCULATIONS; QUANTUM-CHEMICAL CALCULATION; ROTAMERS; TOTAL SYNTHESIS; TRANSITION STATE; Z AND E ROTAMER;

CHEMICAL SHIFT;

EID: 84872422030     PISSN: 07491581     EISSN: 1097458X     Source Type: Journal    
DOI: 10.1002/mrc.3909     Document Type: Article

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