Structure of 18'-epivinblastine.
Structure of 18'-epivinblastine.
复制标题
18-表长春碱的结构。
DOI：
10.1107/s010827019100029x
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发表时间：
1991
期刊：
影响因子：
--
通讯作者：
Davis,BE
中科院分区：
文献类型：
--
作者：
Lynch,VM;Stamford,A;Magnus,P;Davis,BE
Methyl {3aR-[3aa, 4fl, 5fl, 5afl, 9 (3R*,-5S*, 7R*, 9 R*), 10bR, 13aa]}-4-(acetyloxy)-3a-ethyl-9-[5-ethyl-1, 4, 5, 6, 7, 8, 9, 10-octahydro-5-hydroxy-9-(methoxycarbonyl)-2H-3, 7-methanoazacycloundec-ino [5, 4-b] indol-9-yl]-3a, 4, 5, 5a, 6, 11, 12, 13a-octahy-dro-5-hydroxy-8-methoxy-6-methyl-1H-indolizino-[8, 1-c, d] carbazole-5-carboxylate methanol solvate, C46H58N409. 2CH3OH (1), Mr= 875" 07, monoclinic, P2~, a= 10.2759 (12), b= 22-353 (3), c= 10.4051 (12) A, fl= 106.502 (9), v= 2291.6 (5) A3, z= 2, Dx= l-27gcm-3, MoKa radiation, A= 0.7107 A,/z= 0.8397 cm-I, F (000)= 940, T= 198 K, R= 0.0470 for 2751 reflections, Fo>-4cr (Fo). The C ring of the vindoline moiety is in the boat conformation with the hydroxy group and the ter-tiary N in the bowsprit positions resulting in a fairly short intramolecular hydrogen-bonding interaction. The relevant parameters for O3--H3..-N9 are O... N 2.651 (6), H... N 1.94 (5) A and O--H... N 147 (5). The D and E rings are in the sofa and envelope conformations, respectively. The piperidine ring of the catharanthine portion of the molecule assumes the chair conformation while the conformation of the azacyclononene ring is a boat-chair. An intra-molecular hydrogen bond between the indolino NH of the catharanthine moiety and methoxy O (025) of the vindoline moiety is also observed. The relevant parameters for N 16'--H 16'---O25 are N---O 2.827 (6), H... N2. 14 (6) A and O--H.-. N 136 (5).
