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wawlgch

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[求助] 微谱数据求助

13C NMR (101 MHz, CDCl3) 溶剂氘仿
21.68,21.92,23.91,28.77,29.96,32.29,39.60,45.51,50.69,53.54,56.07,63.37,125.14,
136.93,164.36
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【答案】应助回帖

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wawlgch: 金币+10, 有帮助 2013-08-20 16:35:20
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233个化合物(查询结果仅供参考)
1 .     sarmentol F
C13H24O2     相似度:60%
Chemical & Pharmaceutical Bulletin          2007          55(3)          435-441
Bioactive Constituents from Chinese Natural Medicines. XXII.1) Absolute Structures of New Megastigmane Glycosides, Sedumosides E1,E2, E3, F1, F2, and G, from Sedum sarmentosum (Crassulaceae)
Toshio MORIKAWA,Yi ZHANG,Seikou NAKAMURA,Hisashi MATSUDA,Osamu MURAOKA,and Masayuki YOSHIKAWA
Structure      13C NMR   碳谱模拟图
2 .     compound 2
C15H23ClO2     相似度:60%
Journal of Natural Products          2001          64          111-113
New Sesquiterpene Carbonimidic Dichlorides and Related Compounds from the Sponge Stylotella aurantium
Musri Musman, Junichi Tanaka, and Tatsuo Higa
Structure      13C NMR   碳谱模拟图
3 .     (-)-sophoridine
    相似度:60%
Chemical & Pharmaceutical Bulletin          1980          28          546-551
The Alkaloid Constituents of Euchresta japonica and the Stereochemical Assignment of Two Isomeric Sophoridine N-Oxides
SHIGERU OHMIYA,HIROTAKA OTOMASU,JOJU HAGINIWA and ISAMU MURAKOSHI
Structure      13C NMR   碳谱模拟图
4 .     (-)-sophoridine
C15H24N2O     相似度:60%
Chemistry of Natural Compounds          1996          32          737-858
ALKALOIDS. PLANTS, STRUCTURES, PROPERTIES" Chapter 2, continued
R. Shakirov, M. V. Telezhenetskaya, I. A. Bessonova,S. F. Aripova, I. A. Israilov, M. N. Sultankhodzhaev,V. I. Vinogradova, V. I. Akhmedzhanova, T. S. Tulyaganov,B. T. Salimov, and V. A. Tel'nov
Structure      13C NMR   碳谱模拟图
5 .     sophoridine
    相似度:60%
China Journal of Chinese Materia Medica          2006          31          557-560
Constituents in the alkaloid fraction of Kushen decoction
LIU Bin, SHI Rengbing
Structure      13C NMR   碳谱模拟图
6 .     sophoridine
    相似度:60%
China Journal of Chinese Materia Medica          1997          22          741-743
Alkaloids in Sophora alopecuroides Seed and Relevant Tests for Activity
Zhang Lanzhen and Li, P J Houghton and S Jackson, P R Twentyman
Structure      13C NMR   碳谱模拟图
7 .     (-)-sophoridine
    相似度:60%
Phytochemistry          1999          50          189-193
Lupin alkaloids from seeds of Sophora viciifolia
Ping Xiao,Hajime Kubo,Hideaki Komiyα, Kimio Higashiyamα, Yu-ning Yan,Jia-shi Li , Shigeru Ohmiya
Structure      13C NMR   碳谱模拟图
8 .     (1R,2R)-Methyl 2-[(R)-1-Hydroxy-4-methylpentan-3-yl]-4-methylcyclohex-3-enecarboxylate
C15H26O3     相似度:60%
Organic Letters          2010          Vol.12,No.5          904-907
Total Synthesis of 10-Isocyano-4-cadinene and Determination of Its Absolute Configuration
Keisuke Nishikawa, Hiroshi Nakahara, Yousuke Shirokura, Yasuyuki Nogata,Erina Yoshimura, Taiki Umezawa, Tatsufumi Okino, and Fuyuhiko Matsuda
Structure      13C NMR   碳谱模拟图
9 .     (1R,2R)-methyl 2-((R)-1-hydroxy-4-methylpentan-3-yl)-4-methylcyclohex-3-enecarboxylate
C15H26O3     相似度:60%
The Journal of Organic Chemistry          2011          76          6558-6573
Total Synthesis of 10-Isocyano-4-cadinene and Its Stereoisomers and Evaluations of Antifouling Activities
Keisuke Nishikawa, Hiroshi Nakahara, Yousuke Shirokura, Yasuyuki Nogata, Erina Yoshimura,Taiki Umezawa, Tatsufumi Okino, and Fuyuhiko Matsuda
Structure      13C NMR   碳谱模拟图
10 .     methyl E-3-({(1S,2R,4R,Ss)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl}methylsulfinyl)propenoate
C14H22O4S     相似度:60%
Heterocycles          2002          56          209-220
High-Pressure Mediated Asymmetric Diels-Alder Reaction of Chiral Sulfinylacrylate Derivatives and Its Application to Chiral Synthesis of (-)-COTC and (-)-Gabosine C
Tamiko Takahashi,* Yoko Yamakoshi, Kazuya Okayama, Junko Yamada, Wei-Ying Ge, and Toru Koizumi
Structure      13C NMR   碳谱模拟图
11 .     (S)-7-tert-butoxycarbonylamino-3-tosylamino-heptane-1-nitrile
C19H29N3O4S     相似度:60%
Bioorganic & Medicinal Chemistry          2009          17          3463-3470
Synthesis and biological evaluation of reversible inhibitors of IdeS, a bacterial cysteine protease and virulence determinant
Kristina Berggren, Björn Johansson, Tomas Fex, Jan Kihlberg, Lars Björck, Kristina Luthman
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2013-08-15 12:00:49
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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
wawlgch: 金币+5, 有帮助 2013-08-20 16:35:32
查询结果:共查到233个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     sarmentol F
C13H24O2     相似度:60%
Chemical & Pharmaceutical Bulletin          2007          55(3)          435-441
Bioactive Constituents from Chinese Natural Medicines. XXII.1) Absolute Structures of New Megastigmane Glycosides, Sedumosides E1,E2, E3, F1, F2, and G, from Sedum sarmentosum (Crassulaceae)
Toshio MORIKAWA,Yi ZHANG,Seikou NAKAMURA,Hisashi MATSUDA,Osamu MURAOKA,and Masayuki YOSHIKAWA
Structure      13C NMR   碳谱模拟图

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

2 .     compound 2
C15H23ClO2     相似度:60%
Journal of Natural Products          2001          64          111-113
New Sesquiterpene Carbonimidic Dichlorides and Related Compounds from the Sponge Stylotella aurantium
Musri Musman, Junichi Tanaka, and Tatsuo Higa
Structure      13C NMR   碳谱模拟图

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

3 .     (-)-sophoridine
    相似度:60%
Chemical & Pharmaceutical Bulletin          1980          28          546-551
The Alkaloid Constituents of Euchresta japonica and the Stereochemical Assignment of Two Isomeric Sophoridine N-Oxides
SHIGERU OHMIYA,HIROTAKA OTOMASU,JOJU HAGINIWA and ISAMU MURAKOSHI
Structure      13C NMR   碳谱模拟图

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

4 .     (-)-sophoridine
C15H24N2O     相似度:60%
Chemistry of Natural Compounds          1996          32          737-858
ALKALOIDS. PLANTS, STRUCTURES, PROPERTIES" Chapter 2, continued
R. Shakirov, M. V. Telezhenetskaya, I. A. Bessonova,S. F. Aripova, I. A. Israilov, M. N. Sultankhodzhaev,V. I. Vinogradova, V. I. Akhmedzhanova, T. S. Tulyaganov,B. T. Salimov, and V. A. Tel'nov
Structure      13C NMR   碳谱模拟图

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

5 .     sophoridine
    相似度:60%
China Journal of Chinese Materia Medica          2006          31          557-560
Constituents in the alkaloid fraction of Kushen decoction
LIU Bin, SHI Rengbing
Structure      13C NMR   碳谱模拟图

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

6 .     sophoridine
    相似度:60%
China Journal of Chinese Materia Medica          1997          22          741-743
Alkaloids in Sophora alopecuroides Seed and Relevant Tests for Activity
Zhang Lanzhen and Li, P J Houghton and S Jackson, P R Twentyman
Structure      13C NMR   碳谱模拟图

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

7 .     (-)-sophoridine
    相似度:60%
Phytochemistry          1999          50          189-193
Lupin alkaloids from seeds of Sophora viciifolia
Ping Xiao,Hajime Kubo,Hideaki Komiyα, Kimio Higashiyamα, Yu-ning Yan,Jia-shi Li , Shigeru Ohmiya
Structure      13C NMR   碳谱模拟图

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

8 .     (1R,2R)-Methyl 2-[(R)-1-Hydroxy-4-methylpentan-3-yl]-4-methylcyclohex-3-enecarboxylate
C15H26O3     相似度:60%
Organic Letters          2010          Vol.12,No.5          904-907
Total Synthesis of 10-Isocyano-4-cadinene and Determination of Its Absolute Configuration
Keisuke Nishikawa, Hiroshi Nakahara, Yousuke Shirokura, Yasuyuki Nogata,Erina Yoshimura, Taiki Umezawa, Tatsufumi Okino, and Fuyuhiko Matsuda
Structure      13C NMR   碳谱模拟图

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

9 .     (1R,2R)-methyl 2-((R)-1-hydroxy-4-methylpentan-3-yl)-4-methylcyclohex-3-enecarboxylate
C15H26O3     相似度:60%
The Journal of Organic Chemistry          2011          76          6558-6573
Total Synthesis of 10-Isocyano-4-cadinene and Its Stereoisomers and Evaluations of Antifouling Activities
Keisuke Nishikawa, Hiroshi Nakahara, Yousuke Shirokura, Yasuyuki Nogata, Erina Yoshimura,Taiki Umezawa, Tatsufumi Okino, and Fuyuhiko Matsuda
Structure      13C NMR   碳谱模拟图

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

10 .     methyl E-3-({(1S,2R,4R,Ss)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]heptan-1-yl}methylsulfinyl)propenoate
C14H22O4S     相似度:60%
Heterocycles          2002          56          209-220
High-Pressure Mediated Asymmetric Diels-Alder Reaction of Chiral Sulfinylacrylate Derivatives and Its Application to Chiral Synthesis of (-)-COTC and (-)-Gabosine C
Tamiko Takahashi,* Yoko Yamakoshi, Kazuya Okayama, Junko Yamada, Wei-Ying Ge, and Toru Koizumi
Structure      13C NMR   碳谱模拟图

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

11 .     (S)-7-tert-butoxycarbonylamino-3-tosylamino-heptane-1-nitrile
C19H29N3O4S     相似度:60%
Bioorganic & Medicinal Chemistry          2009          17          3463-3470
Synthesis and biological evaluation of reversible inhibitors of IdeS, a bacterial cysteine protease and virulence determinant
Kristina Berggren, Björn Johansson, Tomas Fex, Jan Kihlberg, Lars Björck, Kristina Luthman
Structure      13C NMR   碳谱模拟图

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

12 .     (5S*,7R*,8aR*)-5-butyl-7-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
C13H25N     相似度:60%
Tetrahedron          2013          69          274-283
New synthesis and reactions of indolizidine 167E and indolizidine derivatives
Shang-Shing P. Chou, Shan-Lun Chiang, Guan-Lin Huang, Bi-Shan Chiang, Ya-Chien Yu
Structure      13C NMR   碳谱模拟图

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

13 .     1-(5-(2-(3-(Dimethylamino)propylsulfonyl)ethyl)oxazol-2-yl)octan-1-one
C18H32N2O4S     相似度:58.8%
Bioorganic & Medicinal Chemistry          2012          20          1100-1112
Design, synthesis and evaluation of polar head group containing 2-keto-oxazole inhibitors of FAAH
Marion Rusch,Stefan Zahov,Ingrid R. Vetter, Matthias Lehr, Christian Hedberg
Structure      13C NMR   碳谱模拟图

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

14 .     Compound 8
    相似度:58.8%
Magnetic Resonance in Chemistry          2002          40          307-310
Structural elucidation and complete assignment of a novel class of sulfonamides: bridgehead tricyclic sultams
Catherine Jolivet, Daniel D. Long, Russel S. Dahl and Andreas P. Termin
Structure      13C NMR   碳谱模拟图

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

15 .     methyl botryenaloate
    相似度:56.2%
Journal of Natural Products          2003          66          344-349
Chemical Transformations on Botryane Skeleton. Effect on the Cytotoxic Activity
Jos L. Reino, Rosa Durn-Patrn, Inmaculada Segura, Rosario Hernndez-Galn, Hans H. Riese, and Isidro G. Collado
Structure      13C NMR   碳谱模拟图

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

16 .     (+)-(1R,2R,4S,6R,7S,9S)-4-isopropenyl-1,5,5,6,7-pentamethyltricyclo[4.3.0.02,9]nonan-8-one
    相似度:56.2%
Indian Journal of Chemistry          2005          44B          1029-1039
Enantiospecific synthesis of sesquiterpenes from (R)-carvone. Synthesis of 3-thapsenol
Srikrishna,A; Anebouselvy,K
Structure      13C NMR   碳谱模拟图

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

17 .     compound 16
    相似度:56.2%
Tetrahedron Letters          2002          43          2769-2771
An enantiospecific approach to (+)-thaps-8(11)-en-3-ol
A Srikrishna, K Anebouselvy
Structure      13C NMR   碳谱模拟图

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

18 .     S-ethyl 3-cyclohexyl-3-N'-(4'-trifluoromethylbenzoyl)hydrazinothiohexanoate
    相似度:56.2%
Heterocycles          2000          52          1143-1162
Mannich Type Reactions of Acylhydrazones with Silyl Enolates for the Synthesis of β-Amino Ester, β-Amino Ketone, β-Lactam, Pyrazolidinone, and Pyrazolone Derivatives
Osamu Okitsu, Hidekazu Oyamada, Takayuki Furuta, and Shu Kobayashi*
Structure      13C NMR   碳谱模拟图

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

19 .     (-)-(R)-3-methoxy-10a-methyl-5,6,7,8,10,10a-hexahydro-phenanthrene-1,4-dione
C16H18O3     相似度:56.2%
European Journal of Organic Chemistry          2011                   2818-2826
Enantioselective Access to Key Intermediates for Salvinorin A and Analogues
Don Antoine Lanfranchi, Christophe Bour and Gilles Hanquet
Structure      13C NMR   碳谱模拟图

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

20 .     1-(5-(5-(3-(Dimethylamino)propylsulfonyl)pentyl)oxazol-2-yl)octan-1-one
C21H38N2O4S     相似度:55%
Bioorganic & Medicinal Chemistry          2012          20          1100-1112
Design, synthesis and evaluation of polar head group containing 2-keto-oxazole inhibitors of FAAH
Marion Rusch,Stefan Zahov,Ingrid R. Vetter, Matthias Lehr, Christian Hedberg
Structure      13C NMR   碳谱模拟图
3楼2013-08-15 12:00:53
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