HiFSA fingerprinting applied to isomers with near-identical NMR Spectra: The silybin/isosilybin case

Journal of Organic Chemistry

Volumn 78, Issue 7, 2013, Pages 2827-2839

  Napolitano, José G ^a   Lankin, David C ^a   Graf, Tyler N ^b   Brent Friesen, J ^a,c   Chen, Shao Nong ^a   McAlpine, James B ^a   Oberlies, Nicholas H ^b   Pauli, Guido F ^a  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

^b UNIVERSITY OF NORTH CAROLINA AT GREENSBORO   (United States)

^c DOMINICAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SPACE; COMPUTATIONAL ANALYSIS; COUPLING PATTERN; NATURAL PRODUCTS; ORGANIC MOLECULES; QUALITATIVE AND QUANTITATIVE ANALYSIS; QUANTUM MECHANICAL; REFERENCE MATERIAL;

FLAVONOIDS; ITERATIVE METHODS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY;

ISOMERS;

FLAVONOLIGNAN; HYDNOCARPIN; HYDNOCARPIN D; ISOSILYBIN A; ISOSILYBIN B; SILIBININ; SILYBIN A; SILYBIN B; UNCLASSIFIED DRUG;

ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CONTROLLED STUDY; ISOMER; PROTON ITERATIVE FULL SPIN ANALYSIS FINGERPRINTING; PROTON NUCLEAR MAGNETIC RESONANCE; QUALITATIVE ANALYSIS; QUANTITATIVE ANALYSIS; QUANTUM MECHANICS;

MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR STRUCTURE; PROTONS; SILYMARIN; STEREOISOMERISM;

EID: 84875947723     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/jo302720h     Document Type: Article

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