Determining the absolute configuration of benzopyrenomycin by optical rotation, electronic circular dichroism, and population analysis of different conformations via DFT methods and experiments

Tetrahedron

Volumn 69, Issue 14, 2013, Pages 3067-3074

  Li, Qing Ming ^a,b   Ren, Jie ^a,b   Zhou, Bei Dou ^b   Bai, Bing ^b   Liu, Xin Chun ^c   Wen, Meng Liang ^d   Zhu, Hua Jie ^a,b  

^a HEBEI UNIVERSITY   (China)

^b KUNMING INSTITUTE OF BOTANY   (China)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

^d YUNNAN UNIVERSITY   (China)

Author keywords

Absolute configuration assignment; Conformational analysis; DFT computation; Electronic circular dichroism; Optical rotation

Indexed keywords

BENZO[A]PYRENE; BENZOPYRENOMYCIN; ESTER; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; CHIRALITY; CIRCULAR DICHROISM; CONFORMATION; DENSITY FUNCTIONAL THEORY; GAS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTICAL ROTATION; PRIORITY JOURNAL; SIMULATION; ULTRAVIOLET RADIATION;

EID: 84874657215     PISSN: 00404020     EISSN: 14645416     Source Type: Journal    
DOI: 10.1016/j.tet.2013.01.082     Document Type: Article

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