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3-O-乙酰基赤霉素A3的结构

Structure of 3-O-acetylgibberellin A3.

作者信息

Hossain M B, van der Helm D, Sanduja R, Alam M

机构信息

Department of Chemistry, University of Oklahoma, Norman 73019.

出版信息

Acta Crystallogr C. 1988 Jun 15;44 ( Pt 6):1022-4. doi: 10.1107/s0108270188000459.

DOI:10.1107/s0108270188000459
PMID:3271091
Abstract

C21H24O7, Mr = 388.4, orthorhombic, P2(1)2(1)2(1), a = 13.279 (10), b = 15.615 (10), c = 9.427 (8) A, V = 1954.7 A3, Z = 4, D chi = 1.319 g cm-3, lambda(Mo K alpha) = 0.71069 A, mu = 1.0 cm-1, F(000) = 824, T = 293 K, R = 0.049 for 1805 observed reflections. The gibberellane skeleton shows the conformational variety characteristic of many other gibberellin derivatives. Ring A is in a sofa conformation while the five-membered ring B assumes an intermediate conformation between an envelope and a half-chair. The lactone ring is in an ideal envelope conformation and shows a marked difference in its two C-O distances. Each molecule is hydrogen bonded to two others to form continuous spiral chains along the c axis.

摘要

C21H24O7,Mr = 388.4,正交晶系,P2(1)2(1)2(1),a = 13.279 (10),b = 15.615 (10),c = 9.427 (8) Å,V = 1954.7 Å3,Z = 4,Dχ = 1.319 g cm-3,λ(Mo Kα) = 0.71069 Å,μ = 1.0 cm-1,F(000) = 824,T = 293 K,对于1805个观测反射,R = 0.049。赤霉烷骨架呈现出许多其他赤霉素衍生物特有的构象多样性。A环呈沙发式构象,而五元环B呈现出介于信封式和半椅式之间的中间构象。内酯环呈理想的信封式构象,其两个C - O距离存在明显差异。每个分子通过氢键与另外两个分子相连,沿c轴形成连续的螺旋链。

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