Strength by Joining Methods: Combining Synthesis with NMR, IR, and Vibrational Circular Dichroism Spectroscopy for the Determination of the Relative Configuration in Hemicalide

De Gussem Ewoud; Herrebout Wouter; Specklin Simon; Meyer Christophe; Cossy Janine; Bultinck Patrick

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Strength by Joining Methods: Combining Synthesis with NMR, IR, and Vibrational Circular Dichroism Spectroscopy for the Determination of the Relative Configuration in Hemicalide

机译：通过连接方法获得的强度：将合成与NMR，IR和振动圆二色性光谱相结合，以确定杀虫剂中的相对构型

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The relative configuration of a key subunit of hemicalide, a recently isolated, highly bioactive marine natural product having potent antiproliferative activity against a panel of human cancer cell lines, was assigned by combining stereocontrolled synthesis of model substrates with NMR, IR, and vibrational circular dichroism (VCD) spectroscopy. The assignment of the absolute configuration of asymmetric carbon center C42 in two structurally complex epimeric substructures containing six stereocenters by VCD analysis illustrates the power and reliability of combining methods.

机译：通过将模型底物的立体控制合成与NMR，IR和振动圆二色性相结合，确定了hemicalide的关键亚基（一种最近分离的，具有高生物活性的海洋天然产物，对人类癌细胞系具有强大的抗增殖活性）的相对构型。（VCD）光谱。通过VCD分析，在两个包含六个立体中心的结构复杂的差向异构子结构中，不对称碳中心C42的绝对构型的分配说明了组合方法的强大功能和可靠性。

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《Chemistry: A European journal》 |2014年第52期|共10页
作者
De Gussem Ewoud; Herrebout Wouter; Specklin Simon; Meyer Christophe; Cossy Janine; Bultinck Patrick;
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正文语种 eng
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关键词
circular dichroism; configuration determination; natural products; NMR spectroscopy; structure elucidation;

机译：圆二色性;构型测定;天然产物;核磁共振波谱;结构阐明;

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1. Strength by Joining Methods: Combining Synthesis with NMR, IR, and Vibrational Circular Dichroism Spectroscopy for the Determination of the Relative Configuration in Hemicalide [J] . De Gussem Ewoud, Herrebout Wouter, Specklin Simon, Chemistry: A European journal . 2014,第52期

机译：通过连接方法获得的强度：将合成与NMR，IR和振动圆二色性光谱相结合，以确定杀虫剂中的相对构型
2. Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: The iso-schizozygane alkaloids isoschizogaline and iso [J] . Stephens PJ, Pan JJ, Devlin FJ, Chirality: The pharmacological, biological, and chemical consequences of molecular asymmetry . 2008,第3a4期

机译：通过振动圆二色性，电子圆二色性和旋光性的密度泛函理论计算来确定天然产物的绝对构型：异裂殖子碱生物碱异裂变鸟碱和iso
3. Determination of the absolute configurations of natural products via density functional theory calculations of vibrational circular dichroism, electronic circular dichroism, and optical rotation: The iso-schizozygane alkaloids isoschizogaline and isoschizogamine [J] . Stephens PJ, Pan JJ, Devlin FJ, Chirality: The pharmacological, biological, and chemical consequences of molecular asymmetry . 2008,第3a4期

机译：通过振动圆二色性，电子圆二色性和旋光性的密度泛函理论计算来确定天然产物的绝对构型：异裂殖子碱生物碱异裂殖茶碱和异裂殖胺
4. Determination of the Structures of Chiral Molecules Using Vibrational Circular Dichroism Spectroscopy [C] . P. J. Stephens, F. J. Devlin, A. Aamouche American Chemical Society . 2002

机译：使用振动圆形二色分子光谱法测定手性分子结构
5. Determination of molecular structure using ab initio vibrational absorption and circular dichroism spectroscopies [D] . Ashvar, Claudine Shahrzad 1998

机译：从头算振动吸收和圆二色性光谱法测定分子结构
6. Two Rare-Class Tricyclic Diterpenes with Anti-tubercular Activity from the Caribbean Sponge Svenzea flava. Application of Vibrational Circular Dichroism Spectroscopy for Determining Absolute Configuration [O] . Edward Avilés, Abimael D. Rodríguez, Jan Vicente -1

机译：来自加勒比海海绵Svenzea flava的两种具有抗结核活性的罕见三环二萜。振动圆二色光谱在确定绝对构型中的应用
7. Determination of the Absolute Configurations of Natural Products via Density Functional Theory Calculations of Vibrational Circular Dichroism, Electronic Circular Dichroism, and Optical Rotation: The Iridoids Plumericin and Isoplumericin [O] . -1

机译：振动圆形二分列，电子圆形二色性和光学旋转密度函数理论计算确定天然产物的绝对配置：虹膜Plumencin和isopleumericin
8. Synthesis and Characterization of Some Polymethacrylates and Analysis of TheirStereochemistry by NMR Spectroscopy [R] . Tabasum, A. 1992

机译：一些聚甲基丙烯酸酯的合成，表征及其核磁共振光谱分析

Strength by Joining Methods: Combining Synthesis with NMR, IR, and Vibrational Circular Dichroism Spectroscopy for the Determination of the Relative Configuration in Hemicalide

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