X-ray diffraction and total 1H and 13C NMR assignment of (RS)-5,6-dihydro-7,8-dimethoxy-5-methyl-6-(2-oxopropyl)-(2,3-methylenedioxyphenyl)-[c]-phenanthridine ((RS)-6-acetonyldihydrochelerythrine) |
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Authors: | F.J. Martínez-Martínez I.I. Padilla-Martínez B. Hernández-Carlos R.M. Pérez-Gutiérrez E.V. García-Báez |
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Affiliation: | (1) Departamento de Química, Unidad Profesional Interdisciplinaria de Biotecnología del IPN, Av. Acueducto s/n, Barrio la Laguna Ticomán, México D. F, 07340, México;(2) Laboratorio de Investigación de Productos Naturales, Escuela Superior de Ingeniería Química e Industrias Extractivas del IPN, Punto fijo 16, Col. Torres Lindavista, México D. F, 07708, México |
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Abstract: | The X-ray diffraction structure of (RS)-5,6-dihydro-7,8-dimethoxy-5-methyl-6-(2-oxopropyl)-(2,3-methylenedioxyphenyl)-[c]-phenanthridine ((RS)-6-acetonyldihydrochelerythrine), isolated as an artifact from Bocconia Arborea, is reported. This compound crystallizes as orthorhombic system, space group Pna21, with a = 13.216(2) Å, b = 7.6547(10) Å, c = 20.096(3) Å. The phenanthridine central ring presents a distorted boat conformation, which gives rise to two planes with 21.30° between them. The acetonyl group at the six position forms weak C — H O and C — H -ring interactions. The title compound was completely characterized in solution by 1H and 13C and 2D NMR experiments. |
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Keywords: | (RS)-6-Acetonyldihydrochelerythrine hydrogen bond interactions /content/3h38t53g347wukq6/xxlarge960.gif" alt=" pgr" align=" BASELINE" BORDER=" 0" >-interactions X-ray diffraction NMR |
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