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swaucq

金虫 (正式写手)

[求助] 求助微谱查询

求助一化合物微谱查询,14个碳,化学位移为:
19.6,22.5,24.5,30.2,32.1,37.2,45.7,53.7,64.7,70.6,102.5,123.3,130.6,173.7
质谱分子量264
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不卑不亢
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fancin

新虫 (小有名气)

【答案】应助回帖

★ ★
swaucq: 金币+2, ★★★很有帮助 2012-07-13 16:44:35
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7个化合物(查询结果仅供参考)
1 .     (-)-(2R,3S,6S,7S,9R)-tremul-1(10)-ene-11,12,14-triol
C15H26O3     相似度:60%
Journal of Natural Products          2010          73          1294-1300
Homo- and Heptanor-sterols and Tremulane Sesquiterpenes from Cultures of Phellinus igniarius
Xiuli Wu, Sheng Lin, Chenggen Zhu, Zhenggang Yue, Yang Yu, Feng Zhao, Bo Liu, Jungui Dai and Jiangong Shi
Structure      13C NMR   碳谱模拟图
2 .     huperzine O
C16H23NO3     相似度:56.2%
Chinese Journal of Organic Chemistry          2000          20          812-814
Structural Elucidation of Huperzine O
WANG Bao-De, TENG Ning-Ning, ZHU Da-Yuan
Structure      13C NMR   碳谱模拟图
3 .     melanolepin B
C15H22O5     相似度:53.3%
Helvetica Chimica Acta          2007          Vol. 90          171
Sesquiterpene Lactones from Anthemis melanolepis
Vasiliki Saroglou, Anastasia Karioti, Jörg Heilmann, Zacharias Kypriotakis, and Helen Skaltsa
Structure      13C NMR   碳谱模拟图
4 .     Sch 642305
C14H20O4     相似度:50%
Journal of Natural Products          2003          66          1527-1530
Isolation and Structure Elucidation of Sch 642305, a Novel Bacterial DNA Primase Inhibitor Produced by Penicillium verrucosum
Min Chu, Ronald Mierzwa, Ling Xu,Ling He,Joseph Terracciano,Mahesh Patel, Vincent Gullo,Todd Black,Wenjun Zhao, Tze-Ming Chan,and Andrew T. McPhail
Structure      13C NMR   碳谱模拟图
5 .     4-methoxy-4-phenylazo-2-methylpentan-2-ol
C7H15O2     相似度:50%
Heterocycles          2009          78          1427-1432
Novel Application of an Electrooxidative Method for the Formation of a Tetrahydrofuran Ring from 5-Hydroxy-2-pentanone Phenylhydrazone
Mitsuhiro Okimoto, Takashi Yoshida, Masayuki Hoshi, Kazuyuki Hattori, Masashi Komata, and Tomohito Chiba
Structure      13C NMR   碳谱模拟图
6 .     1,2-Dipalmitoyl-sn-glycero-3-phosphatidic acid
    相似度:50%
Steroids          2010          75          1146-1152
Synthesis of dehydroepiandrosterone analogues modified with phosphatidic acid moiety
Damian A. Smuga, Małgorzata Smuga, Alina Świzdor, Anna Panek, Czesław Wawrzeńczyk
Structure      13C NMR   碳谱模拟图
7 .     N-(3-hydroxyheptadecanoyl)glycine
C19H37NO4     相似度:50%
The Journal of Antibiotics          1997          50          457-468
N-Type Calcium Channel Blockers from a Marine Bacterium, Cytophaga sp. SANK 71996
TADAAKI MORISHITA, AIYA SATO, MARIE HISAMOTO, TOMIICHIRO ODA, KEIIGHI MATSUDA, AKIRA ISHII, KENTARO KODAMA
Structure      13C NMR   碳谱模拟图
4楼2012-07-13 16:10:10
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查看全部 4 个回答

swaucq

金虫 (正式写手)

溶剂用的是氘代甲醇。
不卑不亢
2楼2012-07-13 13:48:23
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fancin

新虫 (小有名气)

【答案】应助回帖

★ ★
感谢参与,应助指数 +1
swaucq: 金币+2, ★★★很有帮助 2012-07-13 16:44:22
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7个化合物(查询结果仅供参考)
1 .     (-)-(2R,3S,6S,7S,9R)-tremul-1(10)-ene-11,12,14-triol
C15H26O3     相似度:60%
Journal of Natural Products          2010          73          1294-1300
Homo- and Heptanor-sterols and Tremulane Sesquiterpenes from Cultures of Phellinus igniarius
Xiuli Wu, Sheng Lin, Chenggen Zhu, Zhenggang Yue, Yang Yu, Feng Zhao, Bo Liu, Jungui Dai and Jiangong Shi
Structure      13C NMR   碳谱模拟图
2 .     huperzine O
C16H23NO3     相似度:56.2%
Chinese Journal of Organic Chemistry          2000          20          812-814
Structural Elucidation of Huperzine O
WANG Bao-De, TENG Ning-Ning, ZHU Da-Yuan
Structure      13C NMR   碳谱模拟图
3 .     melanolepin B
C15H22O5     相似度:53.3%
Helvetica Chimica Acta          2007          Vol. 90          171
Sesquiterpene Lactones from Anthemis melanolepis
Vasiliki Saroglou, Anastasia Karioti, Jörg Heilmann, Zacharias Kypriotakis, and Helen Skaltsa
Structure      13C NMR   碳谱模拟图
4 .     Sch 642305
C14H20O4     相似度:50%
Journal of Natural Products          2003          66          1527-1530
Isolation and Structure Elucidation of Sch 642305, a Novel Bacterial DNA Primase Inhibitor Produced by Penicillium verrucosum
Min Chu, Ronald Mierzwa, Ling Xu,Ling He,Joseph Terracciano,Mahesh Patel, Vincent Gullo,Todd Black,Wenjun Zhao, Tze-Ming Chan,and Andrew T. McPhail
Structure      13C NMR   碳谱模拟图
5 .     4-methoxy-4-phenylazo-2-methylpentan-2-ol
C7H15O2     相似度:50%
Heterocycles          2009          78          1427-1432
Novel Application of an Electrooxidative Method for the Formation of a Tetrahydrofuran Ring from 5-Hydroxy-2-pentanone Phenylhydrazone
Mitsuhiro Okimoto, Takashi Yoshida, Masayuki Hoshi, Kazuyuki Hattori, Masashi Komata, and Tomohito Chiba
Structure      13C NMR   碳谱模拟图
6 .     1,2-Dipalmitoyl-sn-glycero-3-phosphatidic acid
    相似度:50%
Steroids          2010          75          1146-1152
Synthesis of dehydroepiandrosterone analogues modified with phosphatidic acid moiety
Damian A. Smuga, Małgorzata Smuga, Alina Świzdor, Anna Panek, Czesław Wawrzeńczyk
Structure      13C NMR   碳谱模拟图
7 .     N-(3-hydroxyheptadecanoyl)glycine
C19H37NO4     相似度:50%
The Journal of Antibiotics          1997          50          457-468
N-Type Calcium Channel Blockers from a Marine Bacterium, Cytophaga sp. SANK 71996
TADAAKI MORISHITA, AIYA SATO, MARIE HISAMOTO, TOMIICHIRO ODA, KEIIGHI MATSUDA, AKIRA ISHII, KENTARO KODAMA
Structure      13C NMR   碳谱模拟图
3楼2012-07-13 16:09:12
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