Nygren Cara, Chen Tianniu, Zhong Sanbao, Kaczmarek Conrad, Turner John F C, Baker David C
Department of Chemistry, University of Tennessee, Knoxville, TN 37996, USA.
Acta Crystallogr C. 2004 Mar;60(Pt 3):o208-10. doi: 10.1107/S0108270104001659. Epub 2004 Feb 19.
The structures of two compounds which are intermediates in the synthesis of phenanthroindolizidine alkaloids have been determined. (8bS,13aS,14R,14aR)-8b,9,11,12,13,13a,14,14a-Octahydro-14-hydroxy-2,3,6,7-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one acetone solvate, C24H27NO6.C3H6O, (II), crystallizes in a chiral space group with one solvent molecule (acetone) present in the asymmetric unit. On the other hand, (8bS,13aS,14S,14aR)-8b,9,11,12,13,13a,14,14a-octahydro-14-hydroxy-2,3,6,7-tetramethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinolin-11-one, C24H27NO6, (III), crystallizes in a centrosymmetric space group with two molecules in the asymmetric unit and with no solvent present. The two molecules in the asymmetric unit of (III) are structurally the same. Compounds (II) and (III) are epimers at the C atom carrying the OH group; otherwise they are very similar in structure.
已确定两种化合物的结构,它们是菲并吲哚里西啶生物碱合成过程中的中间体。(8bS,13aS,14R,14aR)-8b,9,11,12,13,13a,14,14a-八氢-14-羟基-2,3,6,7-四甲氧基二苯并[f,h]吡咯并[1,2-b]异喹啉-11-酮丙酮溶剂化物,C24H27NO6·C3H6O,(II),结晶于一个手性空间群,不对称单元中有一个溶剂分子(丙酮)。另一方面,(8bS,13aS,14S,14aR)-8b,9,11,12,13,13a,14,14a-八氢-14-羟基-2,3,6,7-四甲氧基二苯并[f,h]吡咯并[1,2-b]异喹啉-11-酮,C24H27NO6,(III),结晶于一个中心对称空间群,不对称单元中有两个分子且无溶剂存在。(III)的不对称单元中的两个分子结构相同。化合物(II)和(III)在携带OH基团的C原子处为差向异构体;否则它们在结构上非常相似。