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夜颦儿

木虫 (小有名气)


[求助] 求助微谱数据 gf

GF-5 CDCL3
153.9,140.4,129.9,129.6,111.4,110.9,110.8,100.3,67.9,59.9,56,50.5,45.4,43.8,40.6,30.6,29.6,27.6,26,11.6

GF-8 MEOD
141.2,138.3,138.2,127.5,122.1,119.8,118.7,114.7,111.9,106.2,61.1,57,53.6,51.2,43.7,27.9,27.5,23.5,12.9

GF-9 MEOD
139.4,138.2,136.4,128.8,122,119.8,118.6,118,111.9,104.4,65.2,56.7,56.1,51.7
,45.5,34.5,28.7,27.8,13

GF-11 MEOD
166,164.4,157.1,151.8,131.7,129.5,113.3,113.3,104.8,103.6,95.2,78.9,78.5,74.5,71.3,62.5,58.6,56.1,40.9,38.9,32.6,29.4,28.6,27.2,11.7
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lifeliuyan

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查询结果:共查到50个化合物(查询结果仅供参考)  
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1 .     6-O-(p-methoxybenzoyl)-ajugol
     相似度:56%
Phytochemistry          1993          32          371-373
Iridoids from Tabebuia avellanedae
Kimiko Nakano, Kazuki Maruyama, Ktar Murakami, Yoshihisa Takaishi, Toshiaki Tomimatsu
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


2 .     ligupurpuroside I
     相似度:56%
Chemistry & Biodiversity          2013          10          96-128
Chemical Constituents and Biological Activities of Plants from the Genus Ligustrum
Bei-Bei Gao, Gai-Mei She and Dong-Mei She
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


3 .     5'-β-D-glucopyranosyloxyjasmonic butyl ester
C22H36O9     相似度:56%
Acta Chimica Sinica          2007          65          1649-1653
Chemical Constituents of Lavandula augustifolia
WU, Xia LIU, Jing YU, Zhi-Bing YE, Yun-Hua ZHOU, Ya-Wei*
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


4 .     l0-hydroxystrictosam
C26H30N2O9     相似度:53.8%
Planta Medica          1991          57          149-152
New Indole Alkaloid Glycosides from Nauclea orientalis
C. A. J. Erdelmeier, A. D. Wright, .1. Orjala, B. Baumgartner, T. Rali, and O. Stiche
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


5 .     (8'R)(-)-α-(E-3,4-Methylenedioxy-2-glucosyloxybenzylidene)-β-(3',4'-dimethoxybenzyl)-γ-butyrolactone
C27H30O12     相似度:53.8%
Phytochemistry          1994          37          1693-1698
Lignans and lignan glycosides fromHaplophyllum cappadocicum
Belkis Go¨zler, Mustafa A. O¨nu¨r, Tekant Go¨zler, Gu¨lden Kadan, Manfred Hesse
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


6 .     3-methoxy-D-dihomo-estra-17bβ-(β-D-glucopyranosyloxy)-1,3,5(10),16-tetraene
C27H38O7     相似度:53.8%
European Journal of Organic Chemistry          2011                   1064-1077
Synthesis of a Small Library of Estradiol-Based Glycosteroid Mimics Containing a Modified D-Ring
Filip S. Ekholm, Gyula Schneider, János Wölfling and Reko Leino
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


7 .     cauferoside
     相似度:53.3%
Journal of Natural Products          2010          73          1958-1962
Sesquiterpene Coumarins from Ferula gumosa
Mehrdad Iranshahi, Milena Masullo, Ali Asili, Ali Hamedzadeh, Bentolhoda Jahanbin, Michela Festa, Anna Capasso, and Sonia Piacente
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


8 .     2'-O-(4-methoxycinnamoyl)mussaenosidic acid
C26H32O12     相似度:52%
Chemistry & Biodiversity          2006          Vol. 3          799
Iridoid Glucosides and Flavones from the Aerial Parts of Avicennia marina
Yan Feng, Xiao-Ming Li, Xiao-Juan Duan, and Bin-Gui Wang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


9 .     medicine
C25H22O12     相似度:52%
Helvetica Chimica Acta          2001          Vol. 84          656
Novel Coumarin Glycosides from Daphne oleoides
Muhammad Riaz and Abdul Malik
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


10 .     spinonin dimethyl ether derivative
C25H28O10     相似度:52%
Journal of Natural Products          1997          60          378-381
Spinonin, a Novel Glycoside from Ononis spinosa subsp. Leiosperma
Süheyla Kırmızıgül, Nezhun Gören, Shu-Wei Yang, Geoffrey A. Cordell, and Candan Bozok-Johansson
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


11 .     alangiside
     相似度:52%
Chemical & Pharmaceutical Bulletin          1994          42          2208-2210
THREE TETRAHYDROISOQUINOLINE-MONOTERPENE GLUCOSIDES FROM ALANGIUM LAMARCKII : THE FIRST OCCURRENCE OF GLUCOSIDES WITH THE SAME ABSOLUTE CONFIGURATIONS AS DEACETYLISOIPECOSIDE, A KEY INTERMEDIATE IN THE BIOSYNTHESIS OF IPECAC ALKALOIDS
Atsuko ITOH,Takao TANAHASHI and Naotaka NAGAKURA
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


12 .     curculigoside
C22H26O11     相似度:52%
Acta Botanica Sinica          2004          46          621-624
Curculigoside C, a New Phenolic Glucoside from Rhizomes of Curculigo orchioides
FU Da-Xu, LEI Guang-Qing, CHENG Xiao-Wei, CHEN Jia-Kuan, ZHOU Tong-Shui
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


13 .     compound 2
     相似度:52%
Natural Product Research          1998          11          119-126
Novel 11α-O-β-d-Glucopyranosylrotenoid Isolated from Clitoria fairchildiana
Leda Mathias; Ivo J. C. Vieira; Raimundo Braz-filho; Edson Rodrigues-filho
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


14 .     scuterivulactone D
C27H34O7     相似度:52%
Chemical & Pharmaceutical Bulletin          1997          45          152-160
Studies on the Constituents of Scutellaria Species. XVIII. Structures of Neoclerodane-Type Diterpenoids from the Whole Herb of Scutellaria rivularis WALL.
Haruhisa KIZU,Yoshitaka IMOTO,Tsuyoshi TOMIMORI,Tohru KIKUCHI,Shigetoshi KADOTA and Koji TSUBONO
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


15 .     alangiside
     相似度:52%
Phytochemistry          1997          46          1225-1229
Five tetrahydroisoquinoline-monoterpene glycosides with a disaccharide moiety from Alangium lamarckii
Atsuko Itoh, Takao Tanahashi, Naotaka Nagakura
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


16 .     macrophylloside D
     相似度:52%
Phytochemistry          1996          42          1305-1313
Acyl secoiridoids and antifungal constituents from Gentiana macrophylla
R. X. Tan, J. -L. Wolfender, L. X. Zhang, W. G. Ma, N. Fuzzati, A. Marston, K. Hostettmann
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


17 .     alangiside
     相似度:52%
Phytochemistry          1996          41          651-656
Acylated tetrahydroisoquinoline-monoterpene glucosides from Alangium lamarckii
Atsuko Itoh, Takao Tanahashi, Naotaka Nagakura
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


18 .     (R)-peucedanol 7-O-β-D-glucopyranoside
C20H26O10     相似度:52%
Phytochemistry          1994          35          1339-1341
Coumarin glycosides from Peucedanum japonicum
Yasumasa Ikeshiro, Izumi Mase, Yutaka Tomita
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


19 .     Alanyiside
     相似度:52%
Phytochemistry          1994          36          383-387
Tetrahydroisoquinoline-monoterpene glucosides from Alangium lamarckii and Cephaelis ipecacuanha
Atsuko Itoh, Takao Tanahashi, Naotaka Nagakura, Hidekazu Nayeshiro
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


20 .     10-羟基异长春花苷内酰胺(10-hydroxy strictosamide)
     相似度:52%
China Journal of Chinese Materia Medica          2011          Vol 36,Issue 8          1037-1039
Study on chemical constituents from leaves of Naudea officinalis
XIE Dawen,LI Yonghui,ZHAO LI,DING Gang,YUAN Shao weI,XU Jia, ZHU Hua rong,XIAO Wei
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


21 .     Macrophylloside D
C25H34O14     相似度:52%
Journal of Natural Medicines          2007          61          269-279
The chemical constituents of fresh Gentian Root
Hidehiro Ando, Yasuaki Hirai, Mikio Fujii, Yumiko Hori and Motonori Fukumura, et al.
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


22 .     2'-m-hydroxybenzoylsweroside
     相似度:52%
Chinese Traditional and Herbal Drugs          1995          26          7-10
Studies on the Glucoside Constituents of Shengengzhangyacai (Swertia elongata)
Kong Deyun; Jiang Yi; Yao Ying; et al(Address:Kong Deyun; shanghai Institute of Pharmaceutical Industry; Shanghai);
Structure      13C NMR   碳谱模拟图

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23 .     8-O-β-D-glucopyranosyl-1,5-dihydroxy-3-methoxyxanthone
     相似度:52%
Chinese Traditional and Herbal Drugs          1995          26          7-10
Studies on the Glucoside Constituents of Shengengzhangyacai (Swertia elongata)
Kong Deyun; Jiang Yi; Yao Ying; et al(Address:Kong Deyun; shanghai Institute of Pharmaceutical Industry; Shanghai);
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


24 .     deacetylcentapicrin
     相似度:52%
Chinese Journal of Medicinal Chemistry          2010          20          125-128
Isolation and identification of the Chemical constituents from Swertia yunnanensis Burk.
YU Ying, WANG Shi-sheng*, DING Feng-uan, ZHU Jing-bo, ZHAO Wei-jie
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


25 .     drymariatin C
C27H30O13     相似度:52%
Journal of Integrative Plant Biology          2005          47          1140-1144
Three New Flavone Glycosides from Drymaria diandra Bl.
Zhong-Tao DING*, Xue-Qiong YANG, Qiu-E CAO and Fei LI
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


26 .     sclerochitonoside C
     相似度:52%
Journal of Chemical Ecology          2011          37          301-310
Leaf Chemistry and Foliage Avoidance by the Thrips Frankliniella occidentalis and Heliothrips haemorrhoidalis in Glasshouse Collections
Alison S. Scott Brown, Nigel C. Veitch, Monique S. J. Simmonds
Structure      13C NMR   碳谱模拟图
7楼2013-11-06 21:46:57
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查看全部 8 个回答

lifeliuyan

至尊木虫 (职业作家)

【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:
如:21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
2楼2013-11-06 17:52:07
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夜颦儿

木虫 (小有名气)


夜颦儿: 回帖置顶 2013-11-06 21:19:09
引用回帖:
2楼: Originally posted by lifeliuyan at 2013-11-06 17:52:07
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
如:21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

GF-5 CDCL3
11.6,26,27.6,29.6,30.6,40.6,43.8,45.4,50.5,56,59.9,67.9,100.3,110.8,110.9,111.4,129.6,129.9,140.4,153.9

GF-8 MEOD
12.9,23.5,27.5,27.9,43.7,51.2,53.6,57,61.1,106.2,111.9,114.7,118.7,119.8,122.1,127.5,138.2,138.3,141.2

GF-9 MEOD
13,27.8,28.7,34.5,45.5,51.7,56.1,56.7,65.2,104.4,111.9,118,118.6,119.8,122,128.8
,136.4,138.2,139.4

GF-11 MEOD
11.7,27.2,28.6,29.4,32.6,38.9,40.9,56.1,58.6,62.5,71.3,74.5,78.5,78.9,95.2,103.6,104.8,113.3,113.3,129.5,131.7,151.8,157.1,164.4,166
3楼2013-11-06 21:18:22
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

查询结果:共查到108个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------



1 .     ibogaine
     相似度:60%
Phytochemistry          1991          30          3785-3792
Alkaloids from leaves and root bark ofErvatamia hirta
Pascale Clivio, Bernard Richard, Jean-Robert Deverre, Thierry Sevenet, Monique Zeches, Louisette Le Men-Oliver
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


2 .     ibogaine
     相似度:60%
Helvetica Chimica Acta          1976          59          2437-2442
13C-NMR. Spectroscopy of Naturally Occurring Substances. XLV. Iboga Alkaloids
Ernest Wenkert, David W. Cochran, Hugo E. Gottlieb, Edward W. Hagaman, Raimundo Braz Filho, Francisco José de Abreu Matos and Maria Iracema Lacerda Machado Madruga
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


3 .     ibogaine
     相似度:60%
Phytochemistry          1984          23          175-178
13C NMR analysis of alkaloids from peschiera fuchsiaefolia
Raquel M. Braga, Hermogenes F. Leitáo Filho, Francisco De A.M. Reist
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


4 .     2-Methoxy-3,17β-O,O-bis(sulfamoyl)estradiol
C19H28N2O7S2     相似度:60%
Steroids          2012          77          864-870
Synthesis of 2-[11C]methoxy-3,17β-O,O-bis(sulfamoyl)estradiol as a new potential PET agent for imaging of steroid sulfatase (STS) in cancers
Min Wang, Lu Xu, Mingzhang Gao, Kathy D. Miller, George W. Sledge, Qi-Huang Zheng
Structure      13C NMR   碳谱模拟图

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5 .     2-methoxy-5-methyl-5,6,7,8,9,10-hexahydrocyclohept-indole-10-carboxamide
C16H20N2O2     相似度:60%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


6 .     N-cyclobutanoyl-10-(aminomethyl)-2-methoxy-5-meth-yl-5,6,7,8,9,10-hexahydrocycloheptindole
C20H26N2O2     相似度:60%
Journal of Medicinal Chemistry          1998          41          451-467
Mapping the Melatonin Receptor. 5. Melatonin Agonists and Antagonists Derived from Tetrahydrocyclopentindoles, Tetrahydrocarbazoles and Hexahydrocycloheptindoles
David J. Davies, Peter J. Garratt, Derek A. Tocher, and Stefan Vonhoff, John Davies, Muy-Teck Teh and David Sugden
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


7 .     epiibogaine
C20H26N2O     相似度:60%
Tetrahedron          2012          68          7155-7165
Total synthesis of ibogaine, epiibogaine and their analogues
Goutam Kumar Jana, Surajit Sinha
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


8 .     (±)-(8β,9α,14α)-2-Methoxy-11β-methoxymethyl-17-acetylgona-1,3,5(10),13(17)-tetraene
C22H28O3     相似度:59.0%
Steroids          2006          71          459-468
Efficient synthesis of C-11 functionalized steroids
Patrick Bazzini, Malika Ibrahim-Ouali, Hélène Pellissier, Maurice Santelli
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


9 .     (±)-(8β,9α,14α)-2-Methoxy-11β-hydroxymethyl-17-acetylgona-1,3,5(10),13(17)-tetraene
C21H26O3     相似度:57.1%
Steroids          2006          71          459-468
Efficient synthesis of C-11 functionalized steroids
Patrick Bazzini, Malika Ibrahim-Ouali, Hélène Pellissier, Maurice Santelli
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


10 .     (±)-(8β,9α,14α)-2-Methoxy-11β-aminomethyl-17-acetylgona-1,3,5(10),13(17)-tetraene
C21H27NO2     相似度:57.1%
Steroids          2006          71          459-468
Efficient synthesis of C-11 functionalized steroids
Patrick Bazzini, Malika Ibrahim-Ouali, Hélène Pellissier, Maurice Santelli
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


11 .     (±)-(8β,9α,14α)-2-Methoxy-11β-aminomethyl-17-acetylgona-1,3,5(10),13(17)-tetraene ethylene ketal
C23H31NO3     相似度:56.5%
Steroids          2006          71          459-468
Efficient synthesis of C-11 functionalized steroids
Patrick Bazzini, Malika Ibrahim-Ouali, Hélène Pellissier, Maurice Santelli
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


12 .     ibogaine
     相似度:55%
Helvetica Chimica Acta          1999          Vol. 82          170
A New Rearrangement in Iboga Alkaloids
Alberto Madinaveitia, Gabriel de la Fuente, and Antonio González
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


13 .     Ibogaine
C20H26N2O     相似度:55%
Chemistry of Natural Compounds          2008          44          675-678
INDOLE ALKALOIDS FROM Ervatamia flabellformia
Shuang Liang, Haisheng Chen, Li Jin,Weidong Xuan, and Wei-Dong Zhang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


14 .     (±)-(8β,9α,14α)-2-Methoxy-11β-carboethoxy-17acetylgona-1,3,5(10),13(17)-tetraene
C23H28O4     相似度:55%
Steroids          2006          71          459-468
Efficient synthesis of C-11 functionalized steroids
Patrick Bazzini, Malika Ibrahim-Ouali, Hélène Pellissier, Maurice Santelli
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


15 .     (±)-(8β,9α,14α)-2-Methoxy-11β-amino-17-acetylgona-1,3,5(10),13(17)-tetraene
C20H25NO2     相似度:55%
Steroids          2006          71          459-468
Efficient synthesis of C-11 functionalized steroids
Patrick Bazzini, Malika Ibrahim-Ouali, Hélène Pellissier, Maurice Santelli
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


16 .     ibogaine
     相似度:55%
China Journal of Chinese Materia Medica          2007          32          1296-1299
Study on chemical constituents in rhigome of Ervatamia hainanensis
LIANG Shuang, CHENG Haisheng, JIN Yongsheng, JIN Li, LU Jia, DU Jingling
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


17 .     7-methoxy-1,3,3-trimethyl-1-(phenylsulfanylmethyl)-1H-3,4-dihydro-2-benzopyran
C20H24O2S     相似度:55%
Heterocycles          2010          81          2361-2368
Synthesis of Isochromans by Hydriodic Acid or Iodine Mediated Cyclization Reactions of 1-(2-Vinylphenyl)propan-2-ols
Kazuhiro Kobayashi, Kazuaki Shikata, Hiroki Maegawa, Shuhei Fukamachi, Miyuki Tanmatsu, and Hisatoshi Konishi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


18 .     Chrysoeriol-3'-O-β-D-apifuranosidyl(1→2)-glucopyranoside
     相似度:55%
Chemistry of Natural Compounds          2010          46          459-461
Chemical investigation of Ervatamia yunnanensis
Jing-Ling Du, Yong-Sheng Jin, Li-Ming Qiao, Li Jin and Hai-Sheng Chen
Structure      13C NMR   碳谱模拟图

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19 .     compound 1
     相似度:55%
Tetrahedron Letters          2003          44          583-586
Asymmetric synthesis and conformational analysis of the two enantiomers of the saturated analog of the potent thrombin inhibitor MOL-376
Jessy Mathew, Ken Farber, Hiroshi Nakanishi, Maher Qabar
Structure      13C NMR   碳谱模拟图

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20 .     compound 2
     相似度:55%
Tetrahedron Letters          2003          44          583-586
Asymmetric synthesis and conformational analysis of the two enantiomers of the saturated analog of the potent thrombin inhibitor MOL-376
Jessy Mathew, Ken Farber, Hiroshi Nakanishi, Maher Qabar
Structure      13C NMR   碳谱模拟图
4楼2013-11-06 21:43:58
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