Stereochemical analysis of the 3α- and 3β-hydroxy metabolites of tibolone through NMR and quantum-chemical investigations. An experimental test of GIAO calculations

Magnetic Resonance in Chemistry

Volumn 40, Issue 9, 2002, Pages 581-588

  Colombo, Diego ^a   Ferraboschi, Patrizia ^a   Ronchetti, Fiamma ^a   Toma, Lucio ^b  

^a UNIVERSITY OF MILAN   (Italy)

^b UNIVERSITY OF PAVIA   (Italy)

Author keywords

13C NMR; 1H NMR; DFT calculations; HF calculations; Molecular modeling; NMR; Stereochemistry; Steroids; Tibolone metabolites

Indexed keywords

ATOMS; BIOMOLECULES; CHEMICAL SHIFT; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; LIPIDS; MOLECULAR MODELING; MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY;

13C NMR; 1H NMR; DFT CALCULATION; EXPERIMENTAL TEST; HF CALCULATIONS; HYDROXY METABOLITES; QUANTUM CHEMICAL INVESTIGATION; STEREOCHEMICAL ANALYSIS; STEROID; TIBOLONE METABOLITE;

METABOLITES;

17ALPHA ETHYNYL 7ALPHA METHYL 5(10) ESTREN 3ALPHA,17BETA DIOL; DRUG METABOLITE; HYDROGEN; STEROID; TIBOLONE; UNCLASSIFIED DRUG;

ACCURACY; ARTICLE; CALCULATION; CARBON NUCLEAR MAGNETIC RESONANCE; COMPARATIVE STUDY; DENSITY; EXPERIMENTAL TEST; MOLECULAR MODEL; NUCLEAR OVERHAUSER EFFECT; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY;

EID: 0011961629     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/mrc.1064     Document Type: Article

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