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baishuai741

金虫 (正式写手)

[求助] 已知碳谱,求类似化合物

28.8, 32.4, 51.1, 56.7, 60.7, 64.5, 67.8, 68.9, 70.4, 86.5, 99.6, 107.2, 109.9, 115.9, 119.3, 126.6, 131.8, 133.5, 150.2, 154.6, 161.9, 165.2
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★
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karl2100: 金币+1, 谢谢回复! 2013-10-11 00:43:50
baishuai741: 金币+5, ★★★很有帮助 2013-10-11 12:48:45
查询结果:共查到35个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------



1 .     (+)-epipinoresinol-β-D-glucoside
     相似度:56.5%
Pharmaceutical Biology          2002          40          96-102
The First Report on the Occurrence of Furofuranoid Lignan Glucosides in Acanthaceae
El-Domiaty M.M., El-Shafae A.M., Abdel-Aal M.M., Abou-Hashem M.M.
Structure      13C NMR   碳谱模拟图

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


2 .     venacarpine A
C22H22N2O4     相似度:54.5%
Phytochemistry          2004          65          2119-2122
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
Toh-Seok Kam, Yeun-Mun Choo
Structure      13C NMR   碳谱模拟图

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


3 .     mesothalictricavine
     相似度:54.5%
Chemical & Pharmaceutical Bulletin          1977          25          1426-1435
Studies on the Alkaloids of Papaveraceous Plants. XXIX. Conformational Analysis of Tetrahydroprotoberberines by Carbon-13 Magnetic Resonance Spectroscopy
NARAO TAKAO,KINUKO IWASA,MIYOKO KAMIGAUCHI and MAKIKO SUGIURA
Structure      13C NMR   碳谱模拟图

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


4 .     (+)-Epipinoresinol 4'-O- β-D-glucopyranoside
C20H22O6     相似度:54.5%
Chemistry of Natural Compounds          1985          21          584-587
VERSICOSIDE - A NEW LIGNAN GLYCOSIDE FROM Haplophyllum versicolor
E. Kh. Batirov, A. D. Matkarimov, V. M. Malikov, and M. R. Yagudaev
Structure      13C NMR   碳谱模拟图

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


5 .     (+)-epipinoresinol-β-D-glucoside
     相似度:54.5%
Phytochemistry          1980          19          335-336
13CNMR analysis of symplocosin and (+)-epipinoresinol glucoside
Mariko Chiba, Sueo Hisada, Sansei Nishibe, H. Thieme
Structure      13C NMR   碳谱模拟图

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


6 .     Compound 46
     相似度:52.1%
Bioorganic & Medicinal Chemistry Letters          2010          20          3399-3404
A vHTS approach for the identification of β-adrenoceptor ligands
Stefan Tasler, Roland Baumgartner, Andrea Aschenbrenner, Astrid Ammendola, Kristina Wolf, Tanja Wieber, Josef Schachtner, Marcus Blisse, Udo Quotschalla, Peter Ney
Structure      13C NMR   碳谱模拟图

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


7 .     asperflavin ribofuranoside
C21H25O9     相似度:50%
Chemical & Pharmaceutical Bulletin          2006          54(6)          882-883
A New Radical Scavenging Anthracene Glycoside, Asperflavin Ribofuranoside, and Polyketides from a Marine Isolate of the Fungus Microsporum
Yong LI,Xifeng LI,Uk LEE,Jung Sook KANG,Hong Dae CHOI,and Byeng Wha SON
Structure      13C NMR   碳谱模拟图

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


8 .     echioidin
     相似度:50%
Chemical & Pharmaceutical Bulletin          2003          51(2)          191-193
Two New Flavonoids from Andrographis rothii
Muntha KESAVA REDDY,Mopuru VIJAYA BHASKAR REDDY,Galla JAYAKRISHNA,Duvvuru GUNASEKAR,Cristelle CAUX,and Bernard BODO
Structure      13C NMR   碳谱模拟图

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


9 .     venacarpine B
C22H24N2O3     相似度:50%
Phytochemistry          2004          65          2119-2122
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
Toh-Seok Kam, Yeun-Mun Choo
Structure      13C NMR   碳谱模拟图

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


10 .     echioidin
     相似度:50%
Journal of Natural Products          2003          66          295-297
New 2‘-Oxygenated Flavonoids from Andrographis affinis
M. Vijaya Bhaskar Reddy, P. Hari Kishore, C. Venkata Rao, D. Gunasekar, Cristelle Caux, and Bernard Bodo
Structure      13C NMR   碳谱模拟图

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


11 .     vincamajine
     相似度:50%
Chemistry of Natural Compounds          1982          18          693-696
NMR INVESTIGATION OF ALKALOIDS.III. 13C NMR SPECTRA AND RECONSIDERATION OF THEn STEREOCHEMISTRY OF HERBAMINE AND HERBADINE
M. R. Yagudaev
Structure      13C NMR   碳谱模拟图

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


12 .     methyl 2(E)-3-(4-(3-((R)-2-((S)-1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yloxy)-2-hydroxypropoxy)-3-methoxyphenyl)acrylate
     相似度:50%
Molecules          2007          12          2533-2545
Synthesis of New L-Ascorbic Ferulic Acid Hybrids
Anne Sophie Voisin-Chiret, Marc-Antoine Bazin, Jean-Charles Lancelot and Sylvain Rault
Structure      13C NMR   碳谱模拟图

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


13 .     plicamine
C26H26N2O6     相似度:50%
Phytochemistry          1999          50          1255-1261
Two novel dinitrogenous alkaloids from Galanthus plicatus subsp. byzantinus (Amaryllidaceae)
Nehir Unver,Tekant Go zler, Nadja Walch, Belkis Go zler, Manfred Hesse
Structure      13C NMR   碳谱模拟图

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


14 .     oxostephasunoline
C20H25O7N     相似度:50%
Journal of Natural Products          1984          Vol 47          465-469
Structure of Oxostephasunoline, a New Hasubanalactam Alkaloid from Stephania japonica
Matao Matsui, Yasuo Watanabe
Structure      13C NMR   碳谱模拟图

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


15 .     Dehydropodophyllotoxin
     相似度:50%
Phytochemistry          1995          40          427-431
Antifungal aryltetralin lignans from leaves of Podophyllum hexandrum
Atta-ur-Rahman, M. Ashraf, M. Iqbal Choudhary, Habib-ur-Rehman, M. H. Kazmi
Structure      13C NMR   碳谱模拟图

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


16 .     (±)-1-acetoxy-1,2-dihydro-6-methoxy-3,3-dimethyl-3H,7H-pyran[2,3-c]xanthen-7-one
C21H20O6     相似度:50%
Journal of Heterocyclic Chemistry          2001          38          147-152
Design and synthesis of some new pyranoxanthenones with cytotoxic activity
Konstantinos Ghirtis, Nicole Pouli, Panagiotis Marakos, Alexios-Leandros Skaltsounis, Stephane Leonce, Ghanem Atassi and Daniel H. Caignard
Structure      13C NMR   碳谱模拟图

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


17 .     2-(2'-Hydroxyphenyl)benzoxazole-4-carboxylic acid 2-{2-[2-(2'-hydroxy-ethoxy)-ethoxy]-ethoxy}-ethyl ester
C22H25NO8     相似度:50%
Bioorganic & Medicinal Chemistry          2008          16          1775-1783
Synthesis, metal ion binding, and biological evaluation of new anticancer 2-(2'-hydroxyphenyl)benzoxazole analogs of UK-1
Mireya L. McKee, Sean M. Kerwin
Structure      13C NMR   碳谱模拟图

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


18 .     chrysophyllon I-A
     相似度:50%
Phytochemistry          1986          25          2609-2612
Unusual benzofuranoid neolignans from licaria chrysophylla
Marcia N. Lopes, Marcelo S. Da Silva, José M. Barbosa F, Zenaide S. Ferreira, Massayoshi Yoshida, Otto R. Gottlieb
Structure      13C NMR   碳谱模拟图

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


19 .     1,7-bisallyloxy-3,6-dimethoxyxanthone
C21H20O6     相似度:50%
Journal of the Chemical Society, Perkin Transactions 1          1977                   2158-2162
Extractives from Guttiferae. Part 33. Synthesis of the ozonolysis product from dimethylmangostin, 1-hydroxy-3,6,7-trimethoxy-2,8-bis-(2-oxoethyl)xanthone; some 13C nuclear magnetic resonance spectra of xanthones
M. Sum b. Hj. Idris, Alan Jefferson and Feodor Scheinmann
Structure      13C NMR   碳谱模拟图

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


20 .     N-heptyl 2-(5-hydroxy-4-oxo-2-phenyl-4H-chromen-7-yloxy)acetamide
C24H27NO5     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          1117-1123
Design, synthesis and biological evaluation of chrysin long-chain derivatives as potential anticancer agents
Peng-Cheng Lv, Kai-Rui Wang, Qing-Shan Li, Jin Chen, Juan Sun, Hai-Liang Zhu
Structure      13C NMR   碳谱模拟图
2楼2013-10-10 19:17:45
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danil1288

金虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
karl2100: 金币+1, 多谢提供! 2013-10-11 00:44:10
baishuai741: 金币+5, ★★★很有帮助 2013-10-11 12:48:54
在确定下有可能是新化
查询结果:共查到35个化合物(查询结果仅供参考)
1 .     (+)-epipinoresinol-β-D-glucoside
    相似度:56.5%
Pharmaceutical Biology          2002          40          96-102
The First Report on the Occurrence of Furofuranoid Lignan Glucosides in Acanthaceae
El-Domiaty M.M., El-Shafae A.M., Abdel-Aal M.M., Abou-Hashem M.M.
Structure      13C NMR   碳谱模拟图
2 .     venacarpine A
C22H22N2O4     相似度:54.5%
Phytochemistry          2004          65          2119-2122
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
Toh-Seok Kam, Yeun-Mun Choo
Structure      13C NMR   碳谱模拟图
3 .     mesothalictricavine
    相似度:54.5%
Chemical & Pharmaceutical Bulletin          1977          25          1426-1435
Studies on the Alkaloids of Papaveraceous Plants. XXIX. Conformational Analysis of Tetrahydroprotoberberines by Carbon-13 Magnetic Resonance Spectroscopy
NARAO TAKAO,KINUKO IWASA,MIYOKO KAMIGAUCHI and MAKIKO SUGIURA
Structure      13C NMR   碳谱模拟图
4 .     (+)-Epipinoresinol 4'-O- β-D-glucopyranoside
C20H22O6     相似度:54.5%
Chemistry of Natural Compounds          1985          21          584-587
VERSICOSIDE - A NEW LIGNAN GLYCOSIDE FROM Haplophyllum versicolor
E. Kh. Batirov, A. D. Matkarimov, V. M. Malikov, and M. R. Yagudaev
Structure      13C NMR   碳谱模拟图
5 .     (+)-epipinoresinol-β-D-glucoside
    相似度:54.5%
Phytochemistry          1980          19          335-336
13CNMR analysis of symplocosin and (+)-epipinoresinol glucoside
Mariko Chiba, Sueo Hisada, Sansei Nishibe, H. Thieme
Structure      13C NMR   碳谱模拟图
6 .     Compound 46
    相似度:52.1%
Bioorganic & Medicinal Chemistry Letters          2010          20          3399-3404
A vHTS approach for the identification of β-adrenoceptor ligands
Stefan Tasler, Roland Baumgartner, Andrea Aschenbrenner, Astrid Ammendola, Kristina Wolf, Tanja Wieber, Josef Schachtner, Marcus Blisse, Udo Quotschalla, Peter Ney
Structure      13C NMR   碳谱模拟图
7 .     asperflavin ribofuranoside
C21H25O9     相似度:50%
Chemical & Pharmaceutical Bulletin          2006          54(6)          882-883
A New Radical Scavenging Anthracene Glycoside, Asperflavin Ribofuranoside, and Polyketides from a Marine Isolate of the Fungus Microsporum
Yong LI,Xifeng LI,Uk LEE,Jung Sook KANG,Hong Dae CHOI,and Byeng Wha SON
Structure      13C NMR   碳谱模拟图
8 .     echioidin
    相似度:50%
Chemical & Pharmaceutical Bulletin          2003          51(2)          191-193
Two New Flavonoids from Andrographis rothii
Muntha KESAVA REDDY,Mopuru VIJAYA BHASKAR REDDY,Galla JAYAKRISHNA,Duvvuru GUNASEKAR,Cristelle CAUX,and Bernard BODO
Structure      13C NMR   碳谱模拟图
9 .     venacarpine B
C22H24N2O3     相似度:50%
Phytochemistry          2004          65          2119-2122
Venalstonine and dioxokopsan derivatives from Kopsia fruticosa
Toh-Seok Kam, Yeun-Mun Choo
Structure      13C NMR   碳谱模拟图
10 .     echioidin
    相似度:50%
Journal of Natural Products          2003          66          295-297
New 2‘-Oxygenated Flavonoids from Andrographis affinis
M. Vijaya Bhaskar Reddy, P. Hari Kishore, C. Venkata Rao, D. Gunasekar, Cristelle Caux, and Bernard Bodo
Structure      13C NMR   碳谱模拟图
11 .     vincamajine
    相似度:50%
Chemistry of Natural Compounds          1982          18          693-696
NMR INVESTIGATION OF ALKALOIDS.III. 13C NMR SPECTRA AND RECONSIDERATION OF THEn STEREOCHEMISTRY OF HERBAMINE AND HERBADINE
M. R. Yagudaev
Structure      13C NMR   碳谱模拟图
12 .     methyl 2(E)-3-(4-(3-((R)-2-((S)-1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yloxy)-2-hydroxypropoxy)-3-methoxyphenyl)acrylate
    相似度:50%
Molecules          2007          12          2533-2545
Synthesis of New L-Ascorbic Ferulic Acid Hybrids
Anne Sophie Voisin-Chiret, Marc-Antoine Bazin, Jean-Charles Lancelot and Sylvain Rault
Structure      13C NMR   碳谱模拟图
13 .     plicamine
C26H26N2O6     相似度:50%
Phytochemistry          1999          50          1255-1261
Two novel dinitrogenous alkaloids from Galanthus plicatus subsp. byzantinus (Amaryllidaceae)
Nehir Unver,Tekant Go zler, Nadja Walch, Belkis Go zler, Manfred Hesse
Structure      13C NMR   碳谱模拟图
14 .     oxostephasunoline
C20H25O7N     相似度:50%
Journal of Natural Products          1984          Vol 47          465-469
Structure of Oxostephasunoline, a New Hasubanalactam Alkaloid from Stephania japonica
Matao Matsui, Yasuo Watanabe
Structure      13C NMR   碳谱模拟图
15 .     Dehydropodophyllotoxin
    相似度:50%
Phytochemistry          1995          40          427-431
Antifungal aryltetralin lignans from leaves of Podophyllum hexandrum
Atta-ur-Rahman, M. Ashraf, M. Iqbal Choudhary, Habib-ur-Rehman, M. H. Kazmi
Structure      13C NMR   碳谱模拟图
16 .     (±)-1-acetoxy-1,2-dihydro-6-methoxy-3,3-dimethyl-3H,7H-pyran[2,3-c]xanthen-7-one
C21H20O6     相似度:50%
Journal of Heterocyclic Chemistry          2001          38          147-152
Design and synthesis of some new pyranoxanthenones with cytotoxic activity
Konstantinos Ghirtis, Nicole Pouli, Panagiotis Marakos, Alexios-Leandros Skaltsounis, Stephane Leonce, Ghanem Atassi and Daniel H. Caignard
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