Determination of the absolute configuration of two estrogenic nonylphenols in solution by chiroptical methods
نویسنده
چکیده
0022-2860/$ see front matter 2008 Elsevier B.V. A doi:10.1016/j.molstruc.2008.07.020 * Tel.: +49 551 201 2215; fax: +49 551 201 2202. E-mail address: [email protected] The absolute configurations of two estrogenic nonylphenols were determined in solution. Both nonylphenols, NP35 and NP112 could not be crystallized so that only solution methods are able to solve directly the question of absolute configuration. The conclusion based on experimental and calculated optical rotation and VCD data for the nonylphenol NP35 was independently confirmed by another study using a camphanoyl derivative and X-ray analysis of the obtained crystals. In case of NP112, the experimental rotation data are inconclusive. However, the comparison between experimental and calculated VCD data allowed the determination of the absolute configuration. 2008 Elsevier B.V. All rights reserved.
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