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白晓意

铁虫 (初入文坛)

[求助] 求助微谱数据库,化合物解析

a2:19.4,25.5,30.9,34.9,40.9,51.4,92.2,128.1,141.6,141.6,142.3,143.9,151.9,152.0,152.1,154.3,164.7,166.0
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Keydream

木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★
感谢参与,应助指数 +1
白晓意: 金币+5, ★★★很有帮助 2012-06-26 17:59:14
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
19.4,25.5,30.9,34.9,40.9,51.4,92.2,128.1,141.6,141.6,142.3,143.9,151.9,152.0,152.1,154.3,164.7,166.0


  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
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16个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     9α-hydroxyleucodin-9-O-β-xylopyranoside
C20H26O8     相似度:85%
Magnetic Resonance in Chemistry          2008          46          1185-1187
Structure elucidation and complete NMR spectral assignments of two new sesquiterpene lactone xylosides from Lactuca triangulata (pages 1185–1187)
Klaudia Michalska, Marek Żylewski and Wanda Kisiel
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     lactuside C
C21H28O9     相似度:76.1%
Chemical & Pharmaceutical Bulletin          1987          35          3905-3908
Sesquiterpene Glycosides from Lactuca sativa L
NAOMI ISHIHARA,TOSHIO MIYASE and AKIRA UENO
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     9α-hydroxy-11,13-dehydroleucodin-9-O-β-xylopyranoside
C20H24O8     相似度:65%
Magnetic Resonance in Chemistry          2008          46          1185-1187
Structure elucidation and complete NMR spectral assignments of two new sesquiterpene lactone xylosides from Lactuca triangulata (pages 1185–1187)
Klaudia Michalska, Marek Żylewski and Wanda Kisiel
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     cichorioside H
C21H28O10     相似度:61.9%
Chemical & Pharmaceutical Bulletin          2008          56(10)          1445-1451
Sesquiterpenes from the Roots of Cichorium endivia
Tsutomu WARASHINA,and Toshio MIYASE
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     bornyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside
C21H38O10     相似度:57.1%
Phytochemistry          1994          37          457-459
Linalyl and bornyl disaccharide glycosides from Gardenia jasminoides flowers
Naoharu Watanabe, Ryuta Nakajima, Shuzo Watanabe, Jae-Hak Moon, Junji Inagaki, Kanzo Sakata, Akihito Yagi, Kazuo Ina
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     1β,3α-dihydroxy-6β-acetoxyeudesm-4(15)-ene
    相似度:52.9%
Journal of Natural Products          1988          Vol 51          475
Epoxidation Reaction of 6β-Acetoxyeudesmenes and Acid-catalyzed Transformations of the Epoxy Compounds
E. Cabrera, A. Garcia-Granados, M. A. Quecuty
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     Nardoguaianone C
C15H22O5     相似度:52.9%
Tetrahedron          2000          56          7673-7678
Novel Guaiane Endoperoxides, Nardoguaianone A-D, from Nardostachys chinensis Roots and their Antinociceptive and Antimalarial Activities
Yoshiaki Takaya, Yoshie Takeuji, Megumi Akasaka, Osamu Nakagawasai, Takeshi Tadano, Kensuke Kisara, Hye-Sook Kim, Yusuke Wataya, Masatake Niwa, Yoshiteru Oshima
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     notoserolide A
    相似度:52.3%
Chinese Traditional and Herbal Drugs          2001          32          970-972
Chemical constituents of Notoseris gracilipes
YE Xiao xia; WANG Ming kui; HUANG Ke xin; GUAN Jia fa; DING Li sheng
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     crepidiaside B
    相似度:52.3%
Chinese Traditional and Herbal Drugs          2001          32          970-972
Chemical constituents of Notoseris gracilipes
YE Xiao xia; WANG Ming kui; HUANG Ke xin; GUAN Jia fa; DING Li sheng
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     compound 3
C20H30O8     相似度:50%
Chemical & Pharmaceutical Bulletin          1993          41          403-405
NOVEL QUASSINOIDS FROM EURYCOMA LONGIFOLIA
Hideji ITOKAWA,Xu-Rong QIN,Hiroshi MORITA,Koichi TAKEYA and Yoichi IITAKA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     11α,13-dihydroglucozaluzanin C
C21H30O8     相似度:50%
Magnetic Resonance in Chemistry          2008          46          1070-1073
Complete 1H and 13C data assignments of two new guaianolides isolated from Ainsliaea fragrans (pages 1070–1073)
Xingshang Li, Jiangyun Liu, Jinna Cai and Peilie Cai
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     intermediate
    相似度:50%
Tetrahedron Letters          2004          45          9501-9504
Synthetic studies towards anti-SARS agents: application of an indium-mediated allylation of α-aminoaldehydes as the key step towards an intermediate
Shu-Sin Chng, Truong-Giang Hoang, Wei-Woon Wayne Lee, Mun-Pun Tham, Hui Yvonne Ling, Teck-Peng Loh
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     picrodendrin W
    相似度:50%
Tetrahedron          2003          59          6019-6025
New picrotoxane terpenoids from Picrodendron baccatum
Yumiko Suzuki, Kazuo Koike, Masako Nagahisa, Tamotsu Nikaid
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     picrodendrin W
C20H28O9     相似度:50%
Tetrahedron          1994          50          10859-10866
Novel picrotoxene norditerpene lactones from picrodendron baccatum
Masako Nagahisa, Kazuo Koike, Mio Narita, Taichi Ohmoto
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     Dumbbell(1)6-s-neu5ac6
    相似度:50%
Bioorganic & Medicinal Chemistry          2009          17          5451-5464
Systematic syntheses of influenza neuraminidase inhibitors: A series of carbosilane dendrimers uniformly functionalized with thioglycoside-type sialic acid moieties
Jun-Ichi Sakamoto, Tetsuo Koyama, Daisei Miyamoto, Sangchai Yingsakmongkon, Kazuya I.P.J. Hidari, Wipawee Jampangern, Takashi Suzuki, Yasuo Suzuki, Yasuaki Esumi, Takemichi Nakamura, Ken Hatano, Daiyo Terunuma, Koji Matsuoka
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     bruceene
C20H26O8     相似度:50%
Acta Chimica Sinica          1984          42          684-687
STUDIES ON THE CHEMICAL CONSTITUENTS OF BRUCEA JAVANICA III.BRUCEENE NEW QUASSINOID FROM BRUCEA JAVANICA
ZHANG JIN-SHENG* XU REN-SHENG LI YU-HUI CHEN ZHONG-LIANG
Structure      13C NMR   碳谱模拟图
2楼2012-06-26 17:16:22
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白晓意

铁虫 (初入文坛)

送鲜花一朵
3楼2012-06-26 17:59:04
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