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[(2S,3aR,6aR)-5-氧代六氢呋喃并[3,2-b]呋喃-2-基]甲基乙酸酯

[(2S,3aR,6aR)-5-Oxohexa-hydro-furo[3,2-b]furan-2-yl]methyl acetate.

作者信息

González María, Martínez Andrea, Rivadulla Marcos L, Matos Maria J

机构信息

Departamento Quimica Organica, Facultade de Quimica, Universidade de Vigo, E-36310 Vigo, Spain.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Apr 20;69(Pt 5):o772. doi: 10.1107/S1600536813010313. Print 2013 May 1.

DOI:10.1107/S1600536813010313
PMID:23723916
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3648296/
Abstract

The title compound, C9H12O5, is a bicyclic lactone, presenting a 2,6-dioxabi-cyclo-[3.3.0]octan-3-one skeleton, which was obtained through an intra-molecular lactonization. The bicyclic lactone presents a cis ring-junction and a 1,5-trans-substituted tetra-hydro-furan. Both five-membered rings are in twisted envelope conformations with one of the fused C atoms as the flap. The dihedral angle between the mean planes of the bicyclic lactone residue, defined by the di-hydro-furan-2(3H)-one and the tetra-hydro-furan rings, is 69.5 (2)°. The atoms of the ester chain are coplanar [maximum deviation = 0.013 (2) Å]. The absolute structure was not determined.

摘要

标题化合物C9H12O5是一种双环内酯，具有2,6 - 二氧杂双环-[3.3.0]辛 - 3 - 酮骨架，它是通过分子内内酯化反应得到的。该双环内酯具有顺式环连接和1,5 - 反式取代的四氢呋喃。两个五元环均处于扭曲的信封式构象，其中一个稠合的C原子作为翻盖。由二氢呋喃 - 2(3H)-酮和四氢呋喃环定义的双环内酯残基平均平面之间的二面角为69.5 (2)°。酯链的原子共面[最大偏差 = 0.013 (2) Å]。绝对结构未确定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6f9d/3648296/6403ee213a2c/e-69-0o772-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6f9d/3648296/6403ee213a2c/e-69-0o772-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6f9d/3648296/6403ee213a2c/e-69-0o772-fig1.jpg

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