Structure and absolute configuration of ginkgolide B characterized by IR- and VCD spectroscopy

Experimental and calculated (B3LYP/6‐31G(d)) vibrational circular dichroism (VCD) and IR spectra are compared, illustrating that the structure and absolute configuration of ginkgolide B (GB) may be characterized directly in solution. A conformational search for GB using MacroModel and subsequent DFT...

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Bibliographic Details
Published in:	Chirality (New York, N.Y.) Vol. 22; no. 2; pp. 217 - 223
Main Authors:	Andersen, Niels H., Christensen, Niels Johan, Lassen, Peter R., Freedman, Teresa B.N., Nafie, Laurence A., Strømgaard, Kristian, Hemmingsen, Lars
Format:	Journal Article
Language:	English
Published:	Hoboken Wiley Subscription Services, Inc., A Wiley Company 01-02-2010
Subjects:	Chirality Circular Dichroism - methods conformational analysis DFT calculations fingerprint region ginkgolides Ginkgolides - chemistry Hydrogen Bonding Infrared absorption Infrared spectroscopy Lactones - chemistry Mathematical analysis Molecular Conformation Reproduction Searching Spectra Spectrophotometry, Infrared - methods Spectroscopy vibrational circular dichroism
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