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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

至尊木虫 (职业作家)

【答案】应助回帖

查询结果:共查到172个化合物(查询结果仅供参考)  
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1 .     vellosiminol
C19H22N2O     相似度:89.4%
Journal of Ethnopharmacology          2012          139          471-477
In vitro antiplasmodial activity of indole alkaloids from the stem bark of Geissospermum vellosii
Flaubert Mbeunkui, Mary H. Grace, Carmen Lategan, Peter J. Smith, Ilya Raskin, Mary Ann Lila
Structure      13C NMR   碳谱模拟图

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2 .     compound 19
     相似度:84.2%
Chemistry of Natural Compounds          1986          22          1-13
APPLICATIONS OF 1H AND 13C NMR SPECTROSCOPY IN STRUCTURAL INVESTIGATIONS OF Vinca INDOLE ALKALOIDS
M. R. Yagudaev
Structure      13C NMR   碳谱模拟图

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3 .     affnisina
     相似度:75%
Química Nova          2009          32          1834-1838
Iboga alkaloids from Peschiera affinis (Apocynaceae) - unequivocal 1H and 13C chemical shift assignments: antioxidant activity
Santos, Allana Kellen L.; Magalhães, Ticiane S.; Monte, Francisco Jose Q.; Mattos, Marcos Carlos de; Oliveira, Maria Conceição F. de; Almeida, Maria Mozarina B.; Lemos, Telma L. G.; Braz-Filho, Raimundo
Structure      13C NMR   碳谱模拟图

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4 .     16-epigardnerine
     相似度:70%
Chemical & Pharmaceutical Bulletin          1978          26          3444-3449
Gardneria Alkaloids. XII. Carbon Magnetic Resonance Spectra of Gardneria Alkaloids. A Study on the Configuration of the Side Chain Double Bonds of Indole Alkaloids
NORIO AIMI,KEIICHI YAMAGUCHI,SHINICHIRO SAKAI,JOJU HAGINIWA and AKINORI KUBO
Structure      13C NMR   碳谱模拟图

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5 .     gardnerine
     相似度:70%
Journal of Natural Products          1986          Vol 49          829
Alcaloïdes Indoliques de Rauvolfia biauriculata
J. Abaul, E. Philogène, P. Bourgeois, G. Mérault, C. Poupat, A. Ahond, P. Potier
Structure      13C NMR   碳谱模拟图

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6 .     (16R)-16-hydroxy-16,17-dihydrouleine
     相似度:68.4%
Journal of Natural Products          1983          Vol 46          206-210
Studies on the Uleine Alkaloids. II. Some Chemical Transformations of Uleine
Robert P. Borris, David C. Lankin, Geoffrey A. Cordell
Structure      13C NMR   碳谱模拟图

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


7 .     19-(Z)-koumidine
C19H22N2O     相似度:68.4%
Chinese Traditional and Herbal Drugs          2011          42          222-225
Chemical constituents from Gelsemium elegans
ZHANG Zhen, LIU Guang-ming, XIAO Huai, ZHANG Zhen, HE Hong-ping, HAO Xiao-jiang
Structure      13C NMR   碳谱模拟图

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


8 .     alstoyunine A
C20H24N2O3     相似度:65%
Journal of Natural Products          2009          72          1836-1841
Monoterpenoid Indole Alkaloids from Alstonia yunnanensis
Tao Feng, Yan Li,Xiang-Hai Cai, Xun Gong, Ya-Ping Liu, Rong-Ting Zhang, Xiang-Yun Zhang, Qin-Gang Tan, and Xiao-Dong Luo
Structure      13C NMR   碳谱模拟图

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


9 .     19(S),20(R)-dihydroperaksine-17-al
C18H22N2O     相似度:63.1%
Journal of Natural Products          2002          65          1006-1010
New Alkaloids of the Sarpagine Group from Rauvolfia serpentina Hairy Root Culture
Yuri Sheludko,Irina Gerasimenko, Heinz Kolshorn, and Joachim Stöckigt
Structure      13C NMR   碳谱模拟图

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


10 .     (16R)-17- hydroxy-16,17-dihydrouleine
     相似度:63.1%
Journal of Natural Products          1983          Vol 46          206-210
Studies on the Uleine Alkaloids. II. Some Chemical Transformations of Uleine
Robert P. Borris, David C. Lankin, Geoffrey A. Cordell
Structure      13C NMR   碳谱模拟图

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


11 .     voachalotinal
C22H24N2O3     相似度:61.9%
Phytochemistry          1990          29          3341-3344
Alkaloids from Alstonia undulata
The´rs`e-Marie Pinchon,Jean-Marc Nuzillard,Bernard Richard,Georges Massiot,Louisette Le Men-Olivier,Thierry Sevenet
Structure      13C NMR   碳谱模拟图

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


12 .     pleiocarpamine
C20H22N2O2     相似度:60%
Phytochemistry          1990          29          3377-3379
17α-O-Methylyohimbine and vallesiachotamine from roots ofAmsonia elliptica
Martina Sauerwein,Koichiro Shimomura
Structure      13C NMR   碳谱模拟图

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


13 .     vincamedine
C22H24NO     相似度:59.0%
Planta Medica          1986          52          66-67
A New Alkaloid Difforine and Normacusine B from Vinca difformis
J. Gamier and J. Mahuteau
Structure      13C NMR   碳谱模拟图

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


14 .     19(S),20(R)-dihydroperaksine
C18H22N2O     相似度:57.8%
Journal of Natural Products          2002          65          1006-1010
New Alkaloids of the Sarpagine Group from Rauvolfia serpentina Hairy Root Culture
Yuri Sheludko,Irina Gerasimenko, Heinz Kolshorn, and Joachim Stöckigt
Structure      13C NMR   碳谱模拟图

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


15 .     N(4)-demethyltaberpsychine
C19H22N2O     相似度:57.8%
Phytochemistry          2009          70          1182-1186
Four tetracyclic oxindole alkaloids and a taberpsychine derivative from a Malayan Tabernaemontana
Kuan-Hon Lim, Kooi-Mow Sim, Guan-Huat Tan, Toh-Seok Kam
Structure      13C NMR   碳谱模拟图

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16 .     2,3,10,11-tetrasubstituted-5,6-dihydro-protoberberine
C19H17NO4     相似度:57.8%
Natural Product Research          2003          17          397-402
Two new alkaloids from Miliusa cuneata
Bin Chen; Chung Feng; Bio-Gang Li; Guo-Lin Zhang
Structure      13C NMR   碳谱模拟图

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


17 .     (16R)-16,17-dihydrouleine
     相似度:57.8%
Journal of Natural Products          1983          Vol 46          206-210
Studies on the Uleine Alkaloids. II. Some Chemical Transformations of Uleine
Robert P. Borris, David C. Lankin, Geoffrey A. Cordell
Structure      13C NMR   碳谱模拟图

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


18 .     normacusine B
     相似度:57.8%
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

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19 .     cleavamine
     相似度:57.8%
Helvetica Chimica Acta          1976          59          2711-2723
13C-NMR. Spectroscopy of Naturally Occuring Substances. XLII. Conformational analysis of quebrachamine-like indole alkaloids and related substances
Ernest Wenkert, Edward W. Hagaman, Nicole Kunesch, Nai-yi Wang and Béla Zsadon
Structure      13C NMR   碳谱模拟图

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


20 .     dehydrokoumidine
C19H20N2O     相似度:57.8%
Chemistry – An Asian Journal          2011          6          166-173
Seven New Monoterpenoid Indole Alkaloids from Gelsemium elegans
Yousuke Yamada, Mariko Kitajima, Noriyuki Kogure, Sumphan Wongseripipatana, and Hiromitsu Takayama
Structure      13C NMR   碳谱模拟图

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21 .     koumidine
     相似度:57.8%
Phytochemistry          1987          26          2875-2876
Revision of the stereochemistry of koumidine
Yeh Schun,Geoffrey A. Cordell
Structure      13C NMR   碳谱模拟图

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22 .     2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonic acid benzylmethylamide
C24H31N3O2S     相似度:57.8%
Heterocycles          2003          60          2441-2455
Synthesis of 5-Substituted Indole Derivatives. Part 4: Naratriptan from α-Anilinoacetaldehyde Dimethylacetal by TiCl4-Mediated Cyclisation
Béla Pete,* Gyula Simig, László Poszávácz, and László Toke
Structure      13C NMR   碳谱模拟图

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23 .     normacusine B
C19H22N2O     相似度:57.8%
Phytochemical Analysis          1997          8          115-119
Tertiary Alkaloid Fraction of Strychnos atlantica: Confirmation of the Identity and Structures of Indole Alkaloids by High Field Nuclear Magnetic Resonance Spectroscopy
Rabindranath Mukherjee, Tania M. S. da Silva, João B. L. Guimarães, Eduardo de J. Oliveira, Paul A. Keifer and James N. Shoolery
Structure      13C NMR   碳谱模拟图
6楼2013-11-06 21:46:24
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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

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


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

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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

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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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