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段志刚9527

新虫 (正式写手)

[求助] 维普求助 已有1人参与

13C NMR (101 MHz, CDCl3) δ:11.9,12.0, 18.8, 19.1, 19.3, 19.8, 21.0, 23.1, 24.3, 24.6, 25.0, 26.1, 28.3, 28.9, 29.2, 29.7, 31.9, 31.9, 34.0, 34.6, 36.2, 36.6, 37.0, 38.2, 39.7, 42.3, 45.9, 50.0, 56.1, 56.7, 73.8, 122.6, 139.7, 173.3.

[ Last edited by 豆哥 on 2014-1-2 at 17:08 ]
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wangkaibo123

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kerry

优秀版主

【答案】应助回帖

感谢参与,应助指数 +1
查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到12956个化合物(查询结果仅供参考)
1 .     Sitost-5-en-3β-ol acetate
C31H52O2     相似度:85.2%
Steroids          2005          70          886-895
Gram-scale chromatographic purification of β-sitosterol: Synthesis and characterization of β-sitosterol oxides
Xin Zhang, Philippe Geoffroy, Michel Miesch, Diane Julien-David, Francis Raul, Dalal Aoudé-Werner, Eric Marchioni
Structure      13C NMR   碳谱模拟图
2 .     △5'-3β-OAc (Sitosterol )
    相似度:85.2%
Phytochemistry          1989          28          1721-1724
Acylglucosyl sterols from Momordica charantia
Amelia P. Guevara,Clara Y. Lim-Sylianco,Fabian M. Dayrit,Paul Finch
Structure      13C NMR   碳谱模拟图
3 .     β-sitosteryl acetate
    相似度:85.2%
Chemical Communications          1978                   319-320
Biosynthesis of β-sitosterol from [4-13C]mevalonic acid and sodium [1, 2-13C]acetate in tissue cultures of Isodon japonicus hara
Shujiro Seo, Yutaka Tomita and Kazuo Tori
Structure      13C NMR   碳谱模拟图
4 .     β-Sitosteryl acetate
    相似度:85.2%
Zeitschrift für Naturforschung C          2012          67          172-180
Anti-Helicobacter pylori Activity of the Methanolic Extract of Geum iranicum and its Main Compounds
Somayeh Shahani, Hamid R. Monsef-Esfahani, Soodabeh Saeidnia, Parastoo Saniee, Farideh Siavoshi, Alireza Foroumadi, Nasrin Samadi, and Ahmad R. Gohari
Structure      13C NMR   碳谱模拟图
5 .     β-Sitosterol acetate
C31H52O2     相似度:85.2%
Journal of Chinese Pharmaceutical Sciences          2012          21          428-434
Chemical constituents of Pseudolarix kaempferi Gord
Tianzhi Cai; Wen Qi; Lianmei Yang; Guangzhong Tu; Rong Yang; Kehui Xie; Hongzheng Fu
Structure      13C NMR   碳谱模拟图
6 .     3β-(acetyloxy)stigmast-5-ene
    相似度:85.2%
Yakugaku Zasshi          1991          111          299-305
Studies on the Anticomplementary Activity of Jozann. Antlcomplementary Activity of Steroid Derivatives
Tsuyoshi EBIHARA, Tomoko KAWAI, Masanori KUROYANAGI, Seigo FUKUSHIMA, Akira UENO
Structure      13C NMR   碳谱模拟图
7 .     daucosterol-10,13-eicosdienoate
C55H94O7     相似度:82.8%
Chinese Traditional and Herbal Drugs          2009          40          683-686
Chemical constituents in roots of Boehmeria nivea
CHEN Guo-qing; LIU Yan-li; XIE Qian; LI Xiao-ran; XU Qiong-ming; YANG Shi-lin
Structure      13C NMR   碳谱模拟图
8 .     stigmast-5-en-3β-O-(6-O-hexadecanoyl-β-D-glucopyranoside
C51H90O7     相似度:82.8%
Chinese Journal of Oceanology and Limnology          2009          27          288-296
Chemical constituents of marine medicinal mangrove plant Sonneratia caseolaris
TIAN Minqing, DAI Haofu, LI Xiaoming, WANG Bingui
Structure      13C NMR   碳谱模拟图
9 .     sitosteryl-β-D-glucoside
    相似度:82.8%
Journal of Herbs, Spices & Medicinal Plants          2012          18          111-131
New Monoacylglycerol and Antimicrobial Constituents from the Stem Barks of Berlinia confusa
Adebayo A. Lasisi & Akinbo A. Adesomoju
Structure      13C NMR   碳谱模拟图
10 .     β-Sitosterol-3-O-β-D-glucopyranoside
    相似度:82.8%
Molecules          2013          18          2166-2182
Antibacterial/Antifungal Activity and Synergistic Interactions between Polyprenols and Other Lipids Isolated from Ginkgo Biloba L. Leaves
Ran Tao, Cheng-Zhang Wang and Zhen-Wu Kong
Structure      13C NMR   碳谱模拟图
11 .     β-sitosterol benzoate
    相似度:82.3%
Planta Medica          1988          54          223-224
Antihepatotoxic Principles of Sambucus formosana
Chun-Nan Lin and Whey-Pin Tome
Structure      13C NMR   碳谱模拟图
12 .     compound 2
    相似度:82.3%
Chemistry of Natural Compounds          1999          35          646-649
13C NMR SPECTRA OF II-SITOSTEROL DERIVATIVES WITH OXIDIZED RINGS A AND B
N. V. Kovganko, Zh. N. Kashkan,E. V. Borisov, and E. V. Batura
Structure      13C NMR   碳谱模拟图
13 .     胡萝卜苷
    相似度:82.3%
Chinese Journal of Marine Drugs          2002          21(1)          1-4
Sterol con stituents from marine brown alga ishige okamurai
TANG Hai-feng, YI Yang-hua, YAO Xin-sheng
Structure      13C NMR   碳谱模拟图
14 .     compound 1a
C31H32O2     相似度:82.3%
Phytochemistry          1987          26          753-754
Iridoid glycosides from Penstemon richardsonii
Birgit Gering,Peter Junior,Max Wichtl
Structure      13C NMR   碳谱模拟图
15 .     β-Sitosterol acetate
    相似度:82.3%
Archives of Pharmacal Research          2005          28          1135-1141
Inhibitory effect on TNF-α-induced IL-8 production in the HT29 cell of constituents from the leaf and stem ofWeigela subsessilis
Phuong Thien Thuong, WenYi Jin, JongPill Lee, RackSeon Seong and Young-Mi Lee, et al.
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2013-12-31 13:35:21
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mgfudan

铁杆木虫 (著名写手)

mgfudan

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-12-31 13:35:21
查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似 ...

请问虫虫,是采用什么软件进行从图谱数据查到可能化合物的,谢谢!
mgfudan
3楼2014-01-02 08:28:54
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