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duanqing玉

新虫 (初入文坛)

[求助] 求微谱查询一化合物结构 已有1人参与

CDCl3:13.92,13.97,22.48,22.60,24.68,25.49,27.04,27.08,27.09,29.01,29.04,29.19,29.23,29.25,29.29,29.38,29.44,29.49,29.53,29.58,29.62,29.66,31.43,31.84,34.03,49.89,127.77,127.92,129.58,129.85,130.02,178.77.相似度>55%.谢谢。
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wangkaibo123

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kerry

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
duanqing玉: 金币+8, ★★★★★最佳答案, 十分感谢 2013-12-17 15:27:34
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
Domyallbesttohaveahappylife.
2楼2013-12-16 23:01:47
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duanqing玉

新虫 (初入文坛)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2013-12-16 23:01:47
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

CDCl3:13.92,13.97,22.48,22.60,24.68,25.49,27.04,27.08,27.09,29.01,29.04,29.19,29.23,29.25,29.29,29.38,29.44,29.49,29.53,29.58,29.62,29.66,31.43,31.84,34.03,49.89,127.77,127.92,129.58,129.85,130.02,178.77.相似度>55%.谢谢。
3楼2013-12-17 10:20:46
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

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493个化合物(查询结果仅供参考)
1 .     13,17,21-trimethyl-5-docosenoic acid
    相似度:81.2%
Journal of Natural Products          1993          Vol 56          1898
Isoprenoid Polyunsaturated Fatty Acids from Freshwater Sponges
Tomáš Řezanka, Valery M. Dembitsky
Structure      13C NMR   碳谱模拟图
2 .     Dodecyl (Z)-9-hexadecenoate
    相似度:81.2%
Journal of Natural Products          2011          74          1364-1369
Lizard Epidermal Gland Secretions. II. Chemical Characterization of the Generation Gland Secretion of the Sungazer, Cordylus giganteus
Stefan Louw, Ben V. Burger, Maritha Le Roux, and Johannes H. Van Wyk
Structure      13C NMR   碳谱模拟图
3 .     9,13,17,21-tetramethyl-5-docosenoic acid
    相似度:75%
Journal of Natural Products          1993          Vol 56          1898
Isoprenoid Polyunsaturated Fatty Acids from Freshwater Sponges
Tomáš Řezanka, Valery M. Dembitsky
Structure      13C NMR   碳谱模拟图
4 .     tripalmitolein
    相似度:75%
Magnetic Resonance in Chemistry          2009          47          771-781
A novel approach to the rapid assignment of 13C NMR spectra of major components of vegetable oils such as avocado, mango kernel and macadamia nut oils (pages 771–781)
Liezel Retief, Jean M. McKenzie and Klaus R. Koch
Structure      13C NMR   碳谱模拟图
5 .     mayolene-16
C34H60O4     相似度:72.7%
The Journal of Organic Chemistry          2002          67          5896-5900
Synthesis of Mayolene-16 and Mayolene-18: Larval Defensive Lipids from the European Cabbage Butterfly
Douglas B. Weibel, Laura E. Shevy, Frank C. Schroeder, and Jerrold Meinwald
Structure      13C NMR   碳谱模拟图
6 .     11,15,19-trimethyl-5-eicosenoic acid
    相似度:71.8%
Journal of Natural Products          1993          Vol 56          1898
Isoprenoid Polyunsaturated Fatty Acids from Freshwater Sponges
Tomáš Řezanka, Valery M. Dembitsky
Structure      13C NMR   碳谱模拟图
7 .     11,15,19-trimethyl-5,9-eicosenoic acid
    相似度:71.8%
Journal of Natural Products          1993          Vol 56          1898
Isoprenoid Polyunsaturated Fatty Acids from Freshwater Sponges
Tomáš Řezanka, Valery M. Dembitsky
Structure      13C NMR   碳谱模拟图
8 .     fraction A
    相似度:71.8%
Phytochemistry          1989          28          3047-3050
Glycerol tridehydrocrepenynate from the basidiomycete Craterellus cornucopioides
Volker Magnus,Goran Laćan,Robin T. Aplin,Viktor Thaller
Structure      13C NMR   碳谱模拟图
9 .     n-pentadecanylocta-dec-19-en-oate
C33H64O2     相似度:71.8%
Bulletin of the Korean Chemical Society          2007          28          229-234
A New Chemical Constituent from the Hairy Root Cultures of Catharanthus roseus
Ill-Min Chung, Han-Young Park, Mohd Ali, Ka Yiu San, Christie A. M. Peebles, Seung-Beom Hong, Ateeque Ahmad*
Structure      13C NMR   碳谱模拟图
10 .     mayolene-18
C36H64O4     相似度:71.8%
The Journal of Organic Chemistry          2002          67          5896-5900
Synthesis of Mayolene-16 and Mayolene-18: Larval Defensive Lipids from the European Cabbage Butterfly
Douglas B. Weibel, Laura E. Shevy, Frank C. Schroeder, and Jerrold Meinwald
Structure      13C NMR   碳谱模拟图
11 .     Triolein
    相似度:71.4%
Magnetic Resonance in Chemistry          2000          38          886-890
Concentration dependence of 13C NMR spectra of triglycerides: implications for the NMR analysis of olive oils
Luisa Mannina, Claudio Luchinat, Maurizio Patumi, Maria Carmela Emanuele, Enrico Rossi and Annalaura Segre
Structure      13C NMR   碳谱模拟图
12 .     vibratilicin
C43H80N2O7     相似度:70.5%
Helvetica Chimica Acta          2004          Vol. 87          1912
Vibratilicin: a Novel Compound from the Basidiomycete Cortinarius vibratilis
Fei Wang, Jian-Wen Tan, and Ji-Kai Liu
Structure      13C NMR   碳谱模拟图
13 .     elaiomycin B
C29H54N2O3     相似度:68.7%
Organic Letters          2011          Vol.13,No.5          1052-1055
Elaiomycins B and C: Alkylhydrazide Antibiotics from Streptomyces sp. BK 190
Soleiman E. Helaly, Alexander Pesic, Hans-Peter Fiedler, and Roderich D. Süssmuth
Structure      13C NMR   碳谱模拟图
14 .     topostin B553
C33H63NO5     相似度:68.7%
Tetrahedron          1998          54          2683-2690
Structures of topostins, DNA topoisomerase I inhibitors of bacterial origin
Takayuki Nemoto, Makoto Ojika, Yoshinori Takahata, Toshiwo Andoh, Youji Sakagami
Structure      13C NMR   碳谱模拟图
15 .     compound A
    相似度:68.7%
Indian Journal of Chemistry Section B          1995          34B          1114-1115
A new sterol peroxide from a Lobophytum species soft coral
C Subrahmanyam.C Venkateswara Rao & R Kulatheeswaran
Structure      13C NMR   碳谱模拟图
16 .     (R)-2-[(R)-1-acetoxy-9-(5-phenyl-5H-tetrazol-1-ylsulfanyl)nonyl]hexacosanoic acid methyl este
C45H78N4O     相似度:68.7%
Tetrahedron          2013          69          6285-6296
The synthesis of methoxy and keto mycolic acids containing methyl-trans-cyclopropanes
Gani Koza, Maged Muzael, Richard R. Schubert-Rowles, Cornelia Theunissen, Juma'a R. Al Dulayymi, Mark S. Baird
Structure      13C NMR   碳谱模拟图
17 .     trilinolein
    相似度:68.7%
Pharmacognosy Journal          2012          4, issue 32          29-31
Chemical constituents of Aglaia loheri
Consolacion Y Ragasa, Oscar B Torres, Chien-Chang Shen, Michelle Gayle R Mejia, Regina Joyce Ferrer, Sonia D Jacinto
Structure      13C NMR   碳谱模拟图
18 .     Penoxide A
C32H54O5     相似度:68.7%
Mycosystema          2012          31          267-274
HUANG Yuan-Fan1 LI Xiao-Xia1 CHEN Guo-Dong1 GAO Hao1 GUO Liang-Dong2 YAO Xin-Sheng1
WEN Hao LI Yan LIU Xing-Zhong GAO Hao YAO Xin-Sheng
Structure      13C NMR   碳谱模拟图
19 .     Trilinolein
    相似度:68.7%
Journal of Medicinal Plants Research          2012          6          2146-2149
Secondary Metabolites from Cinnamomum cebuense
Ramon S. del Fierro, Queenie Marie A. Maquilang, Ray Anthony S. Sanjorjo, Marcelino D. Tradio, Chien-Chang Shen and Consolacion Y. Ragasa
Structure      13C NMR   碳谱模拟图
20 .     Trilinolein
    相似度:68.5%
Magnetic Resonance in Chemistry          2000          38          886-890
Concentration dependence of 13C NMR spectra of triglycerides: implications for the NMR analysis of olive oils
Luisa Mannina, Claudio Luchinat, Maurizio Patumi, Maria Carmela Emanuele, Enrico Rossi and Annalaura Segre
Structure      13C NMR   碳谱模拟图
21 .     Pnnaxynol linoleute
C35H54O2     相似度:67.6%
Phytochemistry          1994          35          963-967
Linoleoylated polyacetylenes from the root of Panax ginseng
Kazuhiro Hirakura, Makoto Morita, Kazuaki Niitsu, Yukinobu Ikeya, Masao Maruno
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
4楼2013-12-17 10:47:51
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