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zhli2091

金虫 (著名写手)

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[求助] 求助微谱

谢谢您,求助查询两个微谱数据库两个化合物:
分别是1: 58.53,62.26,67.42,71.35,124.18,128.37,148.66,151.64,166.59
2 :  24.54,26.52,28.67,64.66,72.64,77.10,95.73,96.32,99.87,109.47,122.32,124.91,135.12,143.68,145.29,156.68,157.50,157.76
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【答案】应助回帖

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感谢参与,应助指数 +1
zhli2091: 金币+30, ★★★很有帮助, thanks, 2013-01-26 15:51:59
1:
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
58.53,62.26,67.42,71.35,124.18,128.37,148.66,151.64,166.59  
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32个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     3-hydroxy-5-(hydroxymethyl)-4-(4'-hydroxyphenoxy)pyrrolidin-2-one
C11H13NO5     相似度:100%
Natural Product Communications          2011          Vol. 6, No. 9          1243-1246
A New Pyrrolidine Derivative and Steroids from an Algicolous Gibberella zeae Strain
Xiang-Hong Liu, Xiao-Zhen Tang, Feng-Ping Miao and Nai-Yun Ji
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     3-hydroxy-5-(hydroxymethyl)-4-(4'-hydroxyphenoxy)pyrrolidin-2-one
C11H13NO5     相似度:88.8%
Natural Product Communications          2011          Vol. 6, No. 9          1243-1246
A New Pyrrolidine Derivative and Steroids from an Algicolous Gibberella zeae Strain
Xiang-Hong Liu, Xiao-Zhen Tang, Feng-Ping Miao and Nai-Yun Ji
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     bacteria inactivate chloramphenicol
    相似度:88.8%
Bioorganic & Medicinal Chemistry Letters          2002          12          283-286
Isolation of 3′-O-Acetylchloramphenicol: A possible intermediate in chloramphenicol biosynthesis
Frank Groß, Elizabeth A. Lewis, Mahmood Piraee, Karl-Heinz van Pée, Leo C. Vining, Robert L. White
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     2,3-dimethoxy-4-hydroxy-2-buten-4-olid-p-chlorphenylhydrazon
C12H13ClN2O4     相似度:66.6%
Helvetica Chimica Acta          1978          61          1033-1038
Azokupplungen an 3,4-Dimethoxyfuran
Peter Xaver Iten and Conrad Hans Eugster
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     dimethyl 6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine-2,8-dicarboxylate
C19H18N2O4     相似度:60%
European Journal of Organic Chemistry          2010                   4662-4670
Synthesis of Symmetric Diester-Functionalised Tröger's Base Analogues
M. Delower H. Bhuiyan, Kai-Xian Zhu, Paul Jensen and Andrew C. Try
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     2,3-Dimethoxybenzoic acid
    相似度:55.5%
Phytochemistry          1996          41          309-312
A flavone C-glycoside and an aromatic glucoside from Gentiana species
Shih-Hsien Kuo, Ming-Hong Yen, Mei-Ing Chung, Chun-Nan Lin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     (α-S,4S)-2-Dichloromethyl-4,5-dihydro-α-(4-nitrophenyl)-4-oxazolemethanol
C11H10Cl2N2O4     相似度:55.5%
Chemical Research in Chinese Universities          2001          17          271-275
Syntheses and Configuration Inversion of Substituted Oxazolines
YANG Shao-rong,HU Quan-yuan,LIU Jun,YANG Hui and HU Xian-ming
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     Compound 1
C18H18N2O5     相似度:55.5%
Magnetic Resonance in Chemistry          2006          44          901-904
1H and 13C NMR assignments and X-ray structures for three monocyclic benzoannelated dilactam polyethers (pages 901–904)
Gary L. N. Smith, Susan S. Alguindigue, Masood A. Khan, Douglas R. Powell and Richard W. Taylor
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     compound 7
    相似度:55.5%
Tetrahedron Letters          2003          44          8227-8228
A furan route to the asymmetric synthesis of trans-fused polyether building blocks
Urlam Murali Krishna, G.S.C. Srikanth, Girish K. Trivedi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     4-Amino-6-(pyridin-3-yl)-1,3,5-triazin-2-ol
C8H7N5O     相似度:55.5%
Heterocycles          2011          83          797-813
Synthesis of O2- and N3-(2-Phosphonomethoxy)ethyl Derivatives of 6-Phenyl- and 6-Pyridinyl-5-azacytosine
Miroslav Otmar,* Martin Dracinsky, Marcela Krecmerova, Jan Balzarini, Graciela Andrei, and Robert Snoeck


2:
1 .     plumbocatechin A
C18H18O7     相似度:94.4%
Acta Botanica Sinica          1998          40          1035-1039
Phenolics from Ceratostigma minus
Yue Jian-Min, Zhao Yu, Zhao Qin-Shi and Sun Han-Dong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     plumbocatechin A
C18H18O7     相似度:94.4%
Chinese Chemical Letters          1998          9          647-649
A Novel Compound From Ceratostigma Minus
Jian Min YUE,Yu ZHAO,Qin Shi ZHAO,Hou Ming WU,Jing Fei XU,Zhong Wen LIN,Han Dong SUN
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     (+)-7',7'-dimethyl-5-hydroxy-2R,3S-trans-pubeschin
C18H18O6     相似度:72.2%
Phytochemistry          1994          37          529-531
(+)-7′, 7′-Dimethyl-5-hydroxy-2R, 3S-trans-pubeschin from Entandrophragma cylindricum
David Ngnokam, Georges Massiot, Jean-Marc Nuzillard, Etienne Tsamo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     Elaeocyanidin
    相似度:68.4%
Phytochemistry          1985          24          2093-2095
Flavonoids from Elaeodendron balae root bark
Gamini Weeratunga, Lars Bohlin, Robert Verpoorte, Vijaya Kumar
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     theasinensin E
C30H26O14     相似度:61.1%
Chemical & Pharmaceutical Bulletin          1988          36          1676-1684
Tannins and Related Compounds. LXIX. : Isolation and Structure Elucidation of B, B'-Linked Bisflavanoids, Theasinensins D-G and Oolongtheanin from Oolong Tea. (2)
FUMIO HASHIMOTO,GEN-ICHIRO NONAKA and ITSUO NISHIOKA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     plumbocatechin B
C18 H18O7     相似度:61.1%
Acta Botanica Sinica          1998          40          1035-1039
Phenolics from Ceratostigma minus
Yue Jian-Min, Zhao Yu, Zhao Qin-Shi and Sun Han-Dong
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     (-)-epigallocatechin-3-O-gallate
    相似度:61.1%
Korean Journal of Pharmacognosy          1999          30(4)          345-349
Anti-inflammatory Constituents of Polygonum bistorta
Ahn, Jung-Su; Kwon, Yong-Soo; Kim, Chang-Min
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     compound
    相似度:61.1%
Bioscience, Biotechnology, and Biochemistry          1998          62          532-534
Isolation and Identification of Acetyl-CoA Carboxylase Inhibitors from Green Tea (Camellia sinensis)
Jun WATANABE, Jun KAWABATA, Ryoya NIKI
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     (-)-Epigallocatechin Gallate
    相似度:61.1%
Journal of Agricultural and Food Chemistry          2003          51          2974-2979
Antitumor Principle Constituents of Myrica rubra Var. acuminata
Ling-Ling Yang, Chia-Chen Chang, Lih-Geeng Chen, and Ching-Chiung Wang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     (-)-Epigallocatechin 3-O-galloyl ester
    相似度:61.1%
Journal of Agricultural and Food Chemistry          2003          51          6689-6695
Chemical Composition and Antioxidant Activity of Phenolic Compounds from Wild and Cultivated Sclerocarya birrea (Anacardiaceae) Leaves
Alessandra Braca, Matteo Politi, Rokia Sanogo, Haby Sanou, Ivano Morelli, Cosimo Pizza, and Nunziatina De Tommasi
2楼2013-01-26 15:41:50
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潘宪伟

木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
化合物 2


查询结果:共查到63个化合物(查询结果仅供参考)
1 .     plumbocatechin A
C18H18O7     相似度:94.4%
Acta Botanica Sinica          1998          40          1035-1039
Phenolics from Ceratostigma minus
Yue Jian-Min, Zhao Yu, Zhao Qin-Shi and Sun Han-Dong
Structure      13C NMR   碳谱模拟图
2 .     plumbocatechin A
C18H18O7     相似度:94.4%
Chinese Chemical Letters          1998          9          647-649
A Novel Compound From Ceratostigma Minus
Jian Min YUE,Yu ZHAO,Qin Shi ZHAO,Hou Ming WU,Jing Fei XU,Zhong Wen LIN,Han Dong SUN
Structure      13C NMR   碳谱模拟图
3 .     (+)-7',7'-dimethyl-5-hydroxy-2R,3S-trans-pubeschin
C18H18O6     相似度:72.2%
Phytochemistry          1994          37          529-531
(+)-7′, 7′-Dimethyl-5-hydroxy-2R, 3S-trans-pubeschin from Entandrophragma cylindricum
David Ngnokam, Georges Massiot, Jean-Marc Nuzillard, Etienne Tsamo
Structure      13C NMR   碳谱模拟图
4 .     Elaeocyanidin
    相似度:68.4%
Phytochemistry          1985          24          2093-2095
Flavonoids from Elaeodendron balae root bark
Gamini Weeratunga, Lars Bohlin, Robert Verpoorte, Vijaya Kumar
Structure      13C NMR   碳谱模拟图
5 .     theasinensin E
C30H26O14     相似度:61.1%
Chemical & Pharmaceutical Bulletin          1988          36          1676-1684
Tannins and Related Compounds. LXIX. : Isolation and Structure Elucidation of B, B'-Linked Bisflavanoids, Theasinensins D-G and Oolongtheanin from Oolong Tea. (2)
FUMIO HASHIMOTO,GEN-ICHIRO NONAKA and ITSUO NISHIOKA
Structure      13C NMR   碳谱模拟图
6 .     plumbocatechin B
C18 H18O7     相似度:61.1%
Acta Botanica Sinica          1998          40          1035-1039
Phenolics from Ceratostigma minus
Yue Jian-Min, Zhao Yu, Zhao Qin-Shi and Sun Han-Dong
Structure      13C NMR   碳谱模拟图
7 .     (-)-epigallocatechin-3-O-gallate
    相似度:61.1%
Korean Journal of Pharmacognosy          1999          30(4)          345-349
Anti-inflammatory Constituents of Polygonum bistorta
Ahn, Jung-Su; Kwon, Yong-Soo; Kim, Chang-Min
Structure      13C NMR   碳谱模拟图
8 .     compound
    相似度:61.1%
Bioscience, Biotechnology, and Biochemistry          1998          62          532-534
Isolation and Identification of Acetyl-CoA Carboxylase Inhibitors from Green Tea (Camellia sinensis)
Jun WATANABE, Jun KAWABATA, Ryoya NIKI
Structure      13C NMR   碳谱模拟图
9 .     (-)-Epigallocatechin Gallate
    相似度:61.1%
Journal of Agricultural and Food Chemistry          2003          51          2974-2979
Antitumor Principle Constituents of Myrica rubra Var. acuminata
Ling-Ling Yang, Chia-Chen Chang, Lih-Geeng Chen, and Ching-Chiung Wang
Structure      13C NMR   碳谱模拟图
10 .     (-)-Epigallocatechin 3-O-galloyl ester
    相似度:61.1%
Journal of Agricultural and Food Chemistry          2003          51          6689-6695
Chemical Composition and Antioxidant Activity of Phenolic Compounds from Wild and Cultivated Sclerocarya birrea (Anacardiaceae) Leaves
Alessandra Braca, Matteo Politi, Rokia Sanogo, Haby Sanou, Ivano Morelli, Cosimo Pizza, and Nunziatina De Tommasi
Structure      13C NMR   碳谱模拟图
11 .     (-) epigallocatechin 3-O-gallate
    相似度:55.5%
Acta Botanica Yunnanica          1995          17(2)          204-208
CHEMICAL CONSTITUENTS OF "ECOLOGICAL TEA" FROM YUNNAN
ZHANG Wen-Jie, LIU Yu-Qing, LI Xing-Cong, YANG Choug ken
Structure      13C NMR   碳谱模拟图
12 .     theasinensin C
    相似度:55.5%
Chemical & Pharmaceutical Bulletin          1988          36          1676-1684
Tannins and Related Compounds. LXIX. : Isolation and Structure Elucidation of B, B'-Linked Bisflavanoids, Theasinensins D-G and Oolongtheanin from Oolong Tea. (2)
FUMIO HASHIMOTO,GEN-ICHIRO NONAKA and ITSUO NISHIOKA
Structure      13C NMR   碳谱模拟图
13 .     compound 8b
C30H26O14     相似度:55.5%
Chemical & Pharmaceutical Bulletin          1983          31          3906-3914
Tannins and Related Compounds. XV. A New Class of Dimeric Flavan-3-ol Gallates, Theasinensins A and B, and Proanthocyanidin Gallates from Green Tea Leaf. (1)
GENICHIRO NONAKA,OSAMU KAWAHARA and ITSUO NISHIOKA
Structure      13C NMR   碳谱模拟图
14 .     compound 63
    相似度:55.5%
Chemistry of Natural Compounds          1997          33          417-437
1H AND 13C NMR SPECTROSCOPY IN THE STUDY OF FLAVAN-3-OLS, PROANTHOCYANIDINS, AND THEIR DERIVATIVES Ill. 13C NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY OF FLAVAN-3-OLS AND PROANTHOCYANIDINS
A. D. Vdovin, Z. A. Kuliev, and N. D. Abdullaev
Structure      13C NMR   碳谱模拟图
15 .     compound 63
    相似度:55.5%
Chemistry of Natural Compounds          1997          33          417-437
1H AND 13C NMR SPECTROSCOPY IN THE STUDY OF FLAVAN-3-OLS, PROANTHOCYANIDINS, AND THEIR DERIVATIVES Ill. 13C NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY OF FLAVAN-3-OLS AND PROANTHOCYANIDINS
A. D. Vdovin, Z. A. Kuliev, and N. D. Abdullaev
Structure      13C NMR   碳谱模拟图
16 .     EGCG-MOx-M4
C20H18O12     相似度:55.5%
Heterocycles          2005          65          303-310
The Structural Variation in the Incubation Products of (-)-Epigallocatechin Gallate in Neutral Solution Suggests Its Breakdown Pathways
Tsutomu Hatano,* Takayo Ohyabu, and Takashi Yoshida
Structure      13C NMR   碳谱模拟图
17 .     3,4-Dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl 3,4,5-tri-hydroxybenzoate
C16H14O8     相似度:55.5%
Bioorganic & Medicinal Chemistry Letters          2001          11          2763-2767
Simplified catechin-gallate inhibitors of HIV-1 reverse transcriptase
L. M. V. Tillekeratne, A. Sherette, P. Grossman, L. Hupe, D. Hupe, R. A. Hudson
Structure      13C NMR   碳谱模拟图
18 .     (-)-Epigallocatechin 3-O-gallate
    相似度:55.5%
Archives of Pharmacal Research          2000          23          455-458
Antioxidative phenolic compounds from the roots ofRhodiola sachalinensis A. Bor
Min -Won Lee, Yeon -Ah Lee, Hyang -Mi Park, Sang -Hak Toh and Eun -Joo Lee, et al.
Structure      13C NMR   碳谱模拟图
19 .     (-)-epicatechin gallate
    相似度:55.5%
Natural Product Research and Development          2004          16          312-313
STUDIES ON THE CHEMICAL CONSTITUENTS OF BAUBINIA CHAMPIONII BENTH.(Ⅱ)
BAI Hai-yun; ZHAN Qing-feng; XIA Zeng-hua; LAO Ai-na
Structure      13C NMR   碳谱模拟图
20 .     (-)-epigallocatechin-3-O-gallate
    相似度:55%
Acta Botanica Yunnanica          2000          22(3)          343-350
Chemical Constituents of Crude Green Tea ,the Material of Pu - er Tea in Yunnan
ZHOU Zhi-Hong,YANG Chong-Ren
Structure      13C NMR   碳谱模拟图
21 .     (-)-epicatechin-3-O-gallate
    相似度:55%
Acta Botanica Yunnanica          2000          22(3)          343-350
Chemical Constituents of Crude Green Tea ,the Material of Pu - er Tea in Yunnan
ZHOU Zhi-Hong,YANG Chong-Ren
Structure      13C NMR   碳谱模拟图
22 .     3-O-galloyl-(-)-epicatechin
    相似度:55%
Phytochemistry          1992          31          1239-1241
Catechin production by callus cultures of Fagopyrum esculentum
Y Moumou, J Vasseur, F Trotin, J Dubois
Structure      13C NMR   碳谱模拟图
23 .     (–)-epicatechin-3-O-gallte
    相似度:55%
Journal of Integrative Plant Biology          2005          47          759-763
Flavonoids from Lysidice rhodostegia Hance
Song GAO, Guang-Miao FU, Li-Hua FAN, Shi-Shan YU* and De-Quan YU
Structure      13C NMR   碳谱模拟图
24 .     comopund 6a
C30H26O13     相似度:52.6%
Chemical & Pharmaceutical Bulletin          1988          36          1676-1684
Tannins and Related Compounds. LXIX. : Isolation and Structure Elucidation of B, B'-Linked Bisflavanoids, Theasinensins D-G and Oolongtheanin from Oolong Tea. (2)
FUMIO HASHIMOTO,GEN-ICHIRO NONAKA and ITSUO NISHIOKA
Structure      13C NMR   碳谱模拟图
25 .     (-)-epicatechin 3-O-gallate
    相似度:52.6%
China Journal of Chinese Materia Medica          2007          32          815-818
Dihydroflavonol glycosides and flavan-3-ols from Bauhinia aurea
SHANG Xiaoya, LI Shuai, WANG Sujuan, YANG Yongchun, SHI Jiangong
Structure      13C NMR   碳谱模拟图
26 .     (-)-epicatechin-3-O-gallate
    相似度:52.6%
China Journal of Chinese Materia Medica          2000          25          612-614
Studies on Non-anthraquinones in Rheum officinale Baill
LI Junlin, WANG Aiqin, WU Zuze
Structure      13C NMR   碳谱模拟图
27 .     Catechin 7-O-β-D apiofuranoside
    相似度:52.6%
Archives of Pharmacal Research          2011          Vol 34, No 9          1459-1466
Antioxidative and Anti-inflammatory Effects of Phenolic Compounds from the Roots of Ulmus macrocarpa
Joo-Hee Kwon, Seung-Bum Kim, Kwan-Hee Park, and Min-Won Lee
Structure      13C NMR   碳谱模拟图
28 .     compound 3
C19H22O8S2     相似度:52.6%
Bioscience, Biotechnology, and Biochemistry          1993          57          2122-2126
Pollen Tube Growth Promoters from the Style of Rhododendron mucronatum G. Don
Tetsuo Ozawa, Masao Takeshita, Osamu Negishi, Hiroshi Imagawa
Structure      13C NMR   碳谱模拟图
29 .     (-)-epicatechin-5-O-β-D-glucopyrnaoside
C21H24O11     相似度:52.3%
Chemical & Pharmaceutical Bulletin          1992          40          2035-2040
Constituents of a Fern, Davallia mariesii MOORE. IV. Isolation and Structures of a Novel Norcarotane Sesquiterpene Glycoside, a Chromone Glucuronide, and Two Epicatechin Glycosides
Cheng-Bin CUI,Yasuhiro TEZUKA,Tohru KIKUCHI,Hirofumi NAKANO,Tatsuya TAMAOKI and Jong-Hee PARK
Structure      13C NMR   碳谱模拟图
30 .     compound 3
    相似度:52.3%
Tetrahedron Letters          2004          45          6673-6677
New compounds obtained by enzymatic oxidation of phloridzin
Christine Le Guernevé, Philippe Sanoner, Jean-François Drilleau, Sylvain Guyot
Structure      13C NMR   碳谱模拟图
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