A comparative structural study on the steroids [1,2,5]oxadiazolo[3′,4′:3,4]- 5α-pregn-16-en-20-one oxime (HS998), [1,2,5]oxadiazolo[3′,4′:3,4]-5α-pregn- 16-en-20-one (HS974), and [1,2,5]oxadiazolo[3′,4′:3,4]-5β-pregn- 16-en-20-one (HS973) by NMR

Francois Kayser; Dominique Maes; Lode Wyns; John Lisgarten; Rex Palmer; David Lisgarten; Rudolph Willem; Jose C. Martins; Patricia Verheyden; Monique Biesemans

首页> 外文期刊>Steroids >A comparative structural study on the steroids [1,2,5]oxadiazolo[3′,4′:3,4]- 5α-pregn-16-en-20-one oxime (HS998), [1,2,5]oxadiazolo[3′,4′:3,4]-5α-pregn- 16-en-20-one (HS974), and [1,2,5]oxadiazolo[3′,4′:3,4]-5β-pregn- 16-en-20-one (HS973) by NMR

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A comparative structural study on the steroids [1,2,5]oxadiazolo[3′,4′:3,4]- 5α-pregn-16-en-20-one oxime (HS998), [1,2,5]oxadiazolo[3′,4′:3,4]-5α-pregn- 16-en-20-one (HS974), and [1,2,5]oxadiazolo[3′,4′:3,4]-5β-pregn- 16-en-20-one (HS973) by NMR

机译：类固醇[1,2,5]恶二唑[3'，4'：3,4]-5α-pregn-16-en-20-一肟（HS998），[1,2,5]的比较结构研究oxadiazolo [3'，4'：3,4]-5α-pregn-16-en-20-one（HS974）和[1,2,5] oxadiazolo [3'，4'：3,4]-5β -pregn- 16-en-20-one（HS973）通过NMR

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The molecular structure of the steroids [1,2,5]oxadiazolo[3′ ,4′ :3,4]-5α-pregn-16-en-20-one oxime, [1,2,5]oxadiazolo[3′,4′:3,4]-5α-pregn-16-en-20-one and [1,2,5]oxadiazolo[3′,4′:3,4]-5β-pregn-16-en-20-one has been determined. The proton-proton distances in the solid state from previous crystallographic studies are compared with the corresponding distances from novel and previous solution NMR as well as from novel in vacuo modeling studies.

机译：类固醇[1,2,5]恶二唑[3'，4'：3,4]-5α-pregn-16-en-20-一肟，[1,2,5]恶二唑[3'的分子结构，4'：3,4]-5α-pregn-16-en-20-one和[1,2,5] oxadiazolo [3'，4'：3,4]-5β-pregn-16-en-20 -已确定一个。将来自先前晶体学研究的固态质子-质子距离与来自新型和先前溶液NMR以及来自真空建模研究中新型的相应距离进行比较。

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来源
《Steroids》 |1995年第10期|p.713-719|共7页
作者
Francois Kayser; Dominique Maes; Lode Wyns; John Lisgarten; Rex Palmer; David Lisgarten; Rudolph Willem; Jose C. Martins; Patricia Verheyden; Monique Biesemans;
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作者单位

High Resolution NMR Center, Free University of Brussels (VUB);

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原文格式 PDF
正文语种 eng
中图分类生物化学;
关键词
1D NMR; 2D NMR; X-ray diffraction; molecular modeling;

机译：一维核磁共振;二维核磁共振;X射线衍射;分子模型;

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1. 10-HYDROXY-7-ARYLINDENO[1,2-b]-1,2,5-OXADIAZOLO[3,4-d]PYRIDINES AND 7-ARYL-10-OXO-INDENO[1,2-b]-1,2,5-OXADIAZOLO[3,4-d]PYRIDINES-SYNTHESIS,SPECTRA,AND POLYMORPHISM [J] . Mataka Shuntaro, Gorohmaru Hideki Heterocycles: An International Journal for Reviews and Communications in Heterocyclic Chemistry . 1999,第2期

机译：10-HYDROXY-7-ARYLINDENO [1,2-b] -1,2,5-氧杂重氮[3,4-d]吡啶和7-ARYL-10-OXO-茚满[1,2-b] -1， 2,5-恶二唑[3,4-d]吡咯烷酮的合成，光谱和多态性
2. Design and Theoretical Study of D–A–π–A Organic Sensitizers with [1,2,5]Thiadiazolo[3,4-c]pyridine, [1,2,5]Selenadiazolo[3,4-c]pyridine, and [1,2,5]Oxadiazolo[3,4-c]pyridine π Component [J] . Bolshakov O. I., Grishina M. A., Galushko A., Journal of Chemistry . 2015,第4期

机译：用[1,2,5]噻二唑[3,4-C]吡啶，[1,2,5]硒唑[3,4-C]吡啶和吡啶，和吡啶与[1,2,5]吡啶的设计与理论研究[1,2,5]恶二亚唑[3,4-C]吡啶π组分
3. [1,2,5]Oxadiazolo[3,4-d]pyridazine 1,5,6-trioxides: efficient synthesis via the reaction of 3,4-bis(hydroxyimino)methyl)-1,2,5-oxadiazole 2-oxides with a mixture of concentrated nitric and trifluoroacetic acids and structural characterization [J] . Ogurtsov Vladimir A., Dorovatovskii Pavel V., Zubavichus Yan V., Tetrahedron letters: The International Journal for the Rapid Publication of Preliminary Communications in Organic Chemistry . 2018,第32期

机译：[1,2,5]氧基亚唑啉[3,4-D]哒嗪1,5,6-三氧化物：通过3,4-双（羟基氨基）甲基的反应有效合成）-1,2,5-恶二唑2- 具有浓缩硝酸和三氟乙酸和结构表征的混合物的氧化物
4. Bimolecular crystal CL-20 with 7H-tris(1,2,5oxadiazolo)3,4-b:3',4'-d:3",4"-fazepine Experimental enthalpy of formation and thermal stability [C] . Lempert David B., Kazakov Anatolii I., Dashko Dmitrii V., Seminar on New Trends in Research of Energetic Materials . 2017

机译：具有7H-tris（1,2,5 oxadiazolo）3,4-b：3'，4'-d：3“，4” -f Azepine的双分子晶体CL-20实验形成焓和热稳定性
5. 4,5-DIOXO-4,5-DIHYDRO-4Λ4,5Λ4-BIS(1,2,5OXADIAZOLO)3,4-с:3',4'-ePYRIDAZINE AS A SYNTHETIC EQUIVALENT OF 4,4'-DINITROSO-3,3'-BI(1,2,5-OXADIAZOLE) [O] . Nadezhda Troitskaya-Markova, Olga Vlasova, Oleg Rakitin 2019

机译：4,5-二氧氧-4,5-二氢-4,5-4,5λ4-双（1,2,5恶二唑醇）3,4-С：3'，4'-E哒嗪作为合成当量的4， 4'-Dinitroso-3,3'-Bi（1,2,5-氧代唑）
6. Solubility Report of LLM-172 [3,4 Bis (4-nitro-1,2,5-oxadiazole-3-yl)-1,2,5-Oxadiazole]. [R] . Caflin, K. 2018

机译：LLm-172 [3,4双（4-硝基-1,2,5-恶二唑-3-基）-1,2,5-恶二唑]的溶解度报告。

A comparative structural study on the steroids [1,2,5]oxadiazolo[3′,4′:3,4]- 5α-pregn-16-en-20-one oxime (HS998), [1,2,5]oxadiazolo[3′,4′:3,4]-5α-pregn- 16-en-20-one (HS974), and [1,2,5]oxadiazolo[3′,4′:3,4]-5β-pregn- 16-en-20-one (HS973) by NMR

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