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季末也寂寞

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[求助] C谱求助（162）已有1人参与

16.38,16.43,17.61,18.50,19.69,19.85,20.07,20.17,20.82,22.77,23.34,28.34,28.53,28.72,28.78,28.87,33.75,35.78,36.96,38.53,39.57,39.59,39.66,39.87,48.22,50.61,52.86,53.10,55.19,57.41,70.09,73.13,77.97,78.80,125.54,142.66,142.94,155.85,161.06,161.91,185.20,201.61,202.02,211.32,212.70
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1楼2014-04-28 19:19:41
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wangkaibo123

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
季末也寂寞: 金币+15, ★★★★★最佳答案 2014-04-28 20:08:57
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142个化合物(查询结果仅供参考)
1 .     isodopharicin E
C44H54O10     相似度:62.2%
Acta Pharmaceutica Sinica          1994          29          532-538
STRUCTURE ELUCEDATION OF A BIS-ENTKAURANOIDISOLATED FROM ISODON PHARICUS
ZM Wang and PY Cheng
Structure      13C NMR   碳谱模拟图
2 .     3β-Acetoxy-20S-hydroxy-12-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyloxy)dammar-24-ene
C48H72O13     相似度:58.6%
Chemistry of Natural Compounds          2011          47          79-84
Synthesis of 20S-protopanaxadiol β-D-galactopyranosides
L. N. Atopkina and V. A. Denisenko
Structure      13C NMR   碳谱模拟图
3 .     3β,25-Dihydroxy-12β-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyloxy)-dammar-20(22)E-ene
C44H70O12     相似度:57.7%
Chemistry of Natural Compounds          2011          46          892-896
Glycosylation of panaxadiol
L. N. Atopkina and V. A. Denisenko
Structure      13C NMR   碳谱模拟图
4 .     3β,20S-Dihydroxy-12-(2',3',4',6'-tetra-O-acetyl-β-D-galactopyranosyloxy)dammar-24-ene
C44H70O12     相似度:57.7%
Chemistry of Natural Compounds          2011          47          79-84
Synthesis of 20S-protopanaxadiol β-D-galactopyranosides
L. N. Atopkina and V. A. Denisenko
Structure      13C NMR   碳谱模拟图
5 .     cussosaponin E
C59H96O26     相似度:55.5%
Chemical & Pharmaceutical Bulletin          2002          50(9)          1290-1293
Cussosaponins A—E, Triterpene Saponins from the Leaves of Cussonia racemosa, a Malagasy Endemic Plant
Liva HARINANTENAINA, Ryoji KASAI, and Kazuo YAMASAKI
Structure      13C NMR   碳谱模拟图
6 .     21β-O-[(2Z)-3,7-dimethyl-2,6-octadienoyl]-22α-O-(2-methylpropanoyl)- R1-barrigenol
C44H70O8     相似度:55.5%
Journal of Natural Products          2006          69          1680-1686
Cytotoxic Oxygenated Triterpenoid Saponins from Symplocos chinensis
Guangmiao Fu, Yue Liu, Shishan Yu, Xiangzhong Huang, Youcai Hu, Xiaoguang Chen, and Furong Zhang
Structure      13C NMR   碳谱模拟图
7 .     cynarasaponin B methyl ester
C43H68O13     相似度:55.5%
Chemical & Pharmaceutical Bulletin          1988          36          2466-2474
Sesquiterpene Glycosides and Saponins from Cynara cardunculus L.
SHIGERU SHIMIZU,NAOMI ISHIHARA,KAORU UMEHARA,TOSHIO MIYASE and AKIRA UENO
Structure      13C NMR   碳谱模拟图
8 .     cumingianoside I
C40H66O12     相似度:55.5%
Chemical & Pharmaceutical Bulletin          1997          45          68-74
Antitumor Agents. 168. Dysoxylum cumingianum. IV. The Structures of Cumingianosides G-O, New Triterpene Glucosides with a 14, 18-Cycloapotirucallane-Type Skeleton from Dysoxylum cumingianum, and Their Cytotoxicity against Human Cancer Cell Lines
Toshihiro FUJIOKA,Akio SAKURAI,Kunihide MIHASHI,Yoshiki KASHIWADA,Ih-Sheng CHEN and Kuo-Hsiung LEE
Structure      13C NMR   碳谱模拟图
9 .     Lobophytone B
C43H66O10     相似度:55.5%
Organic Letters          2010          Vol.12,No.11          2484-2487
Lobophytones A-G, New Isobiscembranoids from the Soft Coral Lobophytum pauciflorum
Pengcheng Yan, Yang Lv, Leen van Ofwegen, Peter Proksch,and Wenhan Lin
Structure      13C NMR   碳谱模拟图
10 .     N-{3-[4-(3-(Bisheptylamino)propyl)piperazinyl]pro-pyl}-3-O-acetyl-ursolamide
C56H100N4O3     相似度:55.5%
Bioorganic & Medicinal Chemistry          2008          16          771-782
Pharmacomodulation on the 3-acetylursolic acid skeleton: Design, synthesis, and biological evaluation of novel N-{3-[4-(3-aminopropyl)piperazinyl]propyl}-3-O-acetylursolamide derivatives as antimalarial agents
Simone C.B. Gnoatto, Sophie Susplugas, Luciana Dalla Vechia, Thais B. Ferreira, Alexandra Dassonville-Klimpt, Karine R. Zimmer, Catherine Demailly, Sophie Da Nascimento, Jean Guillon, Philippe Grellier, Hugo Verli, Grace Gosmann, Pascal Sonnet
Structure      13C NMR   碳谱模拟图
11 .     22-O-acetyl-21-O-(4'-Oangeloyl)-β-D-fucopyranosyl theasa-pogenol B
C43H68O11     相似度:55.5%
Pharmazie          2006          61          810-811
Two new triterpenoids from the carpophore of Xanthoceras sorbifolia Bunge
Wei Li, Xian Li, Jia Yang, Lin-Hao Li, Ning Li and Da-Li Meng
Structure      13C NMR   碳谱模拟图
12 .     N-{3-[4-(3-aminopropyl)piperazinopropyl]terbutylcarbamate}-3-O-acetylursolamide
C47H80N4O5     相似度:55.5%
European Journal of Medicinal Chemistry          2008          43          1865-1877
Evaluation of ursolic acid isolated from Ilex paraguariensis and derivatives on aromatase inhibition
Simone C.B. Gnoatto, Alexandra Dassonville-Klimpt, Sophie Da Nascimento, Philippe Galéra, Karim Boumediene, Grace Gosmann, Pascal Sonnet, Safa Moslemi
Structure      13C NMR   碳谱模拟图
13 .     3β,12β,20(S)-trihydroxy-dammar-24-ene 20-O-β-D-glucopyranosyl 6'-decanoyl ester
C46H80O9     相似度:55.5%
Molecules          2013          18          3689-3702
Synthesis of Esters of Ginsenoside Metabolite M1 and Their Cytotoxicity on MGC80-3 Cells
Wen-Fang Li, Li-Rong Chen, Xiao-Jie Gong, Zheng-Ning Li and Ke-Ke Li
Structure      13C NMR   碳谱模拟图
14 .     3-O-α-L-rhamnopyranosyl-(1→2)-β-D-glucuronopyranosyl-21-O-acetyl-22-O-β,β-dimethylacryloyl-R1-barrigenol
    相似度:54.3%
Journal of Natural Products          2006          69          1105-1108
Triterpene Saponins from Eryngium campestre
Murat Kartal, Anne-Claire Mitaine-Offer, Thomas Paululat, Mahmoud Abu-Asaker, Hildebert Wagner, Jean-Franois Mirjolet, Nicolas Guilbaud, and Marie-Aleth Lacaille-Dubois
Structure      13C NMR   碳谱模拟图
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2楼2014-04-28 20:01:37
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xuewujx

木虫 (著名写手)
引用回帖:
2楼: Originally posted by wangkaibo123 at 2014-04-28 20:01:37
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 ...

这是用啥软件测的？
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3楼2014-04-29 17:49:14
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