X-ray diffraction and total $^1$H and $^13$C NMR assignment of (RS)-5,6-dihydro-7,8-dimethoxy-5-methyl-6-(2-oxopropyl)-(2,3-methylenedioxyphenyl)-&l

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• 作者：Mart&iacute ; nez Mart&iacute ; nez ; F.J. ; Padilla Mart&iacute ; nez ; I.I. ; Herná ; ndez Carlos ; B. ; Pé ; rez Gutié ; rrez ; R.M. ; Garc&iacute ; a Bá ; ez ; E.V.
• 关键词：(RS) ; 6 ; Acetonyldihydrochelerythrine ; hydrogen bond interactions ; ; interactions ; X ; ray diffraction ; NMR
• 刊名：Journal of Chemical Crystallography
• 出版年：2002
• 出版时间：2002
• 年：2002
• 卷：32
• 期：3/4
• 页码：63-68
• 全文大小：78 KB

文摘

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 Pna2$\_1$, 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··· π-ring interactions. The title compound was completely characterized in solution by $^1$H and $^13$C and 2D NMR experiments.