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yanliting

金虫 (小有名气)

[求助] 求助一化合物微谱数据

溶剂为氘氯,碳谱数据:173.1,169.5,168.0,167.1,145.0,141.7,134.4,127.5,127.0,121.4,94.4,90.0,83.9,76.6,76.4,72.5,69.5,63.4,55.9,55.2,52.0,49.1,34.0,33.3,30.6,28.2,27.6,24.2,21.7,20.1,12.6
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖


感谢参与,应助指数 +1
karl2100: 金币+1, 谢谢! 2013-07-06 11:57:03
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
我有一个梦想,我想当校长
2楼2013-07-06 10:10:11
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wangwang1989

至尊木虫 (职业作家)

没看懂格式要求吗?
我有一个梦想,我想当校长
3楼2013-07-06 10:10:44
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yanliting

金虫 (小有名气)

12.6,20.1,21.7,24.2,27.6,28.2,30.6,33.3,34.0,49.1,52.0,55.2,55.9,63.4,69.5,72.5,76.4,76.6,83.9,90.0,94.4,121.4,127.0,127.5,134.4,141.7,145.0,167.1,168.0,169.5,173.1,
4楼2013-07-06 11:50:54
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

感谢参与,应助指数 +1
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89个化合物(查询结果仅供参考)
1 .     6'-O-acetylpseudolaric acid B O-β-D-glucopyranoside
C31H40O14     相似度:77.4%
Journal of Natural Products          2002          65          1041-1044
Five New Diterpenoids from Pseudolarix kaempferi
Sheng-Ping Yang, Yan Wu, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图
2 .     pseudolaric acid B-β-D-glucoside
C29H38O13     相似度:70.9%
Journal of Natural Products          1995          Vol 58          57-67
Antifungal Evaluation of Pseudolaric Acid B, a Major Constituent of Pseudolarix kaempferi
Erguang Li, Alice M. Clark, Charles D. Hufford
Structure      13C NMR   碳谱模拟图
3 .     PAB-O-β-D-glucopyranoside
    相似度:70.9%
Journal of Separation Science          2009          32          309-313
Preparative isolation of pseudolaric acids A and B, and their glucosides from the root bark of Pseudolarix kaempferi using high-speed counter-current chromatography
Quan-Bin Han, Lina Wong, Fanny Lai, Nian-Yun Yang, Jing-Zheng Song, Chun-Feng Qiao and Hong-Xi Xu
Structure      13C NMR   碳谱模拟图
4 .     2',3'-dihydroxy-1'-propoxypseudolarate B
C26H34O10     相似度:64.5%
Journal of Natural Products          2002          65          1041-1044
Five New Diterpenoids from Pseudolarix kaempferi
Sheng-Ping Yang, Yan Wu, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图
5 .     7-deoxo-7 -acetoxykihadanin B-23ζ-acetate
    相似度:58.0%
Phytochemistry          2000          55          733-740
7β-Oxygenated limonoids from Trichilia elegans ssp. elegans
Fernanda R. Garcez, Walmir S. Garcez, Nídia F. Roque, Eduarda E. Castellano, Julio Zukerman-Schpector
Structure      13C NMR   碳谱模拟图
6 .     PAA-O-β-D-glucopyranoside
    相似度:58.0%
Journal of Separation Science          2009          32          309-313
Preparative isolation of pseudolaric acids A and B, and their glucosides from the root bark of Pseudolarix kaempferi using high-speed counter-current chromatography
Quan-Bin Han, Lina Wong, Fanny Lai, Nian-Yun Yang, Jing-Zheng Song, Chun-Feng Qiao and Hong-Xi Xu
Structure      13C NMR   碳谱模拟图
7 .     methyl 3β-tigloyloxy-2-hydroxy-1-oxo-meliac-8(30)-enate
C32H40O9     相似度:56.2%
Chemical & Pharmaceutical Bulletin          1998          46          523-525
Tetranortriterpenoids from Swietenia macrophylla
Keisuke KOJIMA,Kimio ISAKA and Yukio OGIHARA
Structure      13C NMR   碳谱模拟图
8 .     methyl-2-hydroxy-3β-tigloyloxy-1-oxomeliac-8(30)-enate
    相似度:56.2%
Phytochemistry          1998          49          1981-1988
Limonoids from Swietenia humilis and Guarea grandiflora (Meliaceae)Taken in part from the PhD and MS theses of C. Villarreal and M. A. Jiménez, respectively.
Adelina Jimenez, Claudina Villarreal, Ruben Alfredo Toscano, Mathew Cook, John T. Arnason, Robert Bye, Rachel Mata
Structure      13C NMR   碳谱模拟图
9 .     cipatrijugin D
C31H38O11     相似度:54.8%
Journal of Natural Products          2007          70          1352-1355
Trijugin-Type Limonoids from the Leaves of Cipadessa cinerascens
Ying-Tong Di,Hong-Ping He,Hai-Yang Liu,Ping Yi,Zhen Zhang,Yan-Li Ren, Jun-Song Wang,Qian-Yun Sun,Fu-Mei Yang,Xin Fang,Shun-Lin Li,Hua-Jie Zhu,and Xiao-Jiang Hao
Structure      13C NMR   碳谱模拟图
10 .     compound 7
    相似度:54.8%
Journal of Natural Products          1999          62          949-953
18, 20-Hemiacetal-type and Other Withanolides from Dunalia brachyacantha
Gloria L. Silva, Gerardo Burton, and Juan C. Oberti
Structure      13C NMR   碳谱模拟图
11 .     7-deoxo-7β-acetoxykihadanin A-21R-acetate
    相似度:54.8%
Phytochemistry          2000          55          733-740
7β-Oxygenated limonoids from Trichilia elegans ssp. elegans
Fernanda R. Garcez, Walmir S. Garcez, Nídia F. Roque, Eduarda E. Castellano, Julio Zukerman-Schpector
Structure      13C NMR   碳谱模拟图
12 .     24-norchol-5-en-3β ,23-diol 23-tosylate
C30H40O2S     相似度:54.8%
Steroids          2005          70          551-562
Preparation of (25R)- and (25S)-26-functionalized steroids as tools for biosynthetic studies of cholic acids
Vladimir A. Khripach, Vladimir N. Zhabinskii, Olga V. Konstantinova, Natalya B. Khripach, Alexey V. Antonchick, Andrey P. Antonchick, Bernd Schneider
Structure      13C NMR   碳谱模拟图
13 .     axillarine C
    相似度:54.8%
Steroids          2010          75          818-824
Pregnane alkaloids from Pachysandra axillaris
Yun Sun, Yu-Xin Yan, Jian-Chao Chen, Lu Lu, Xian-Min Zhang, Yan Li, Ming-Hua Qiu
Structure      13C NMR   碳谱模拟图
14 .     3β-pregna-5,20-dienyl-β-D-galactopyranoside
    相似度:54.8%
Journal of Natural Products          1989          Vol 52          391
Isolation and Identification of a New Pregnene Glycoside from the Gorgonian Pseudoplexaura wagenaari
John M. Wasylyk, Gary E. Martin, Alfred J. Weinheimer, Maktoob Alam
Structure      13C NMR   碳谱模拟图
15 .     3-O-[4-O-acetyl-β-D-diginosyl]-3β,14-dihydroxy-5α,14β-androstane-17β-carboxylic acid methyl ester
    相似度:54.8%
Phytochemistry          1992          31          2819-2820
Two pregnanes from oleander leaves
Fumiko Abe, Tatsuo Yamauchi
Structure      13C NMR   碳谱模拟图
16 .     6-Deacetoxydomesticulide D 21-methylether
C28H36O9     相似度:54.8%
Phytochemistry          2011          72          1854-1858
Rings D-seco and B,D-seco tetranortriterpenoids from root bark of Entandrophragma angolense
Tienabe K. Nsiama, Hiroaki Okamura, Toshiyuki Hamada, Yoshiki Morimoto, Matsumi Doe,Tetsuo Iwagawa, Munehiro Nakatani
Structure      13C NMR   碳谱模拟图
17 .     Entangosin
C29H42O11     相似度:54.8%
Phytochemistry          2011          72          1854-1858
Rings D-seco and B,D-seco tetranortriterpenoids from root bark of Entandrophragma angolense
Tienabe K. Nsiama, Hiroaki Okamura, Toshiyuki Hamada, Yoshiki Morimoto, Matsumi Doe,Tetsuo Iwagawa, Munehiro Nakatani
Structure      13C NMR   碳谱模拟图
18 .     gallicaside I
C30H50O11     相似度:54.8%
Phytochemistry          2010          71          1410-1417
Cyclic fatty acyl glycosides in the glandular trichome exudate of Silene gallica
Teigo Asai, Yoshinori Fujimoto
Structure      13C NMR   碳谱模拟图
19 .     Granatumin I
C31H38O8     相似度:54.8%
Chemistry & Biodiversity          2013          10          612-620
New Limonoids from the Seeds of a Krishna Mangrove, Xylocarpus granatum
Hongliang Chen, Jing Zhang, Min-Yi Li, Tirumani Satyanandamurty and Jun Wu
Structure      13C NMR   碳谱模拟图
20 .     compound 2
    相似度:54.5%
Planta Medica          1998          64          462-464
Cytotoxic 2,3-Secoaromadendrane-Type Sesquiterpenoids from the Liverwort Plagiochila ovalifolia
Masao Toyota, Kaori Tanimura, and Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图
21 .     plantagiolide B
C32H44O11     相似度:53.1%
Chemical & Pharmaceutical Bulletin          2006          54(7)          992-995
Five New Withanolides from Tacca plantaginea
Hai-Yang LIU,Wei NI,Bai-Bo XIE,Ling-Yun ZHOU,Xiao-Jiang HAO,Xin WANG,and Chang-Xiang CHEN
Structure      13C NMR   碳谱模拟图
22 .     cardenolide N-4
C32H48O9     相似度:53.1%
Journal of Natural Products          2007          70          1098-1103
Bioactive Cardenolides from the Stems and Twigs of Nerium oleander
Ming Zhao,Liming Bai,Liyan Wang,Asami Toki,Toshiaki Hasegawa,Midori Kikuchi, Mariko Abe,Jun-ichi Sakai,Ryo Hasegawa, Yuhua Bai, Tomokazu Mitsui, Hirotsugu Ogura,Takao Kataoka,Seiko Oka, Hiroko Tsushima,Miwa Kiuchi, Katutoshi Hirose, Akihiro Tomida, Takash
Structure      13C NMR   碳谱模拟图
23 .     24-norchol-5-en-3β ,23-diol 3β ,23-ditosylate
    相似度:53.1%
Steroids          2005          70          551-562
Preparation of (25R)- and (25S)-26-functionalized steroids as tools for biosynthetic studies of cholic acids
Vladimir A. Khripach, Vladimir N. Zhabinskii, Olga V. Konstantinova, Natalya B. Khripach, Alexey V. Antonchick, Andrey P. Antonchick, Bernd Schneider
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
5楼2013-07-06 11:57:31
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