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lx33103310

捐助贵宾 (小有名气)

[求助] 求助微谱结构一个!十分感谢!

c谱:
19.2,56.9,86.8,101.0,105.8,124.1,137.1,155.8,162.3,170.2
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lx33103310

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3楼: Originally posted by 天下无双ts at 2013-07-04 18:20:16
查询结果:共查到30个化合物(查询结果仅供参考)
1 .     7-hydroxy-4-methoxy-5-methylcoumrin
    相似度:63.6%
China Journal of Chinese Materia Medica          2003          28          47-49
虎杖化 ...

同样十分感谢你!
4楼2013-07-04 21:44:16
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
lx33103310: 金币+10, ★★★★★最佳答案, 十分感谢! 2013-07-04 21:43:55
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30个化合物(查询结果仅供参考)
1 .     7-hydroxy-4-methoxy-5-methylcoumrin
    相似度:63.6%
China Journal of Chinese Materia Medica          2003          28          47-49
虎杖化学成分研究
刘晓秋, 于黎明, 吴立军
Structure      13C NMR   碳谱模拟图
2 .     [2-13C]-4,7-Dihydroxy-5-methylcoumarin
    相似度:63.6%
ChemBioChem          2007          8          521-529
Regio- and Stereoselective Intermolecular Oxidative Phenol Coupling in Kotanin Biosynthesis by Aspergillus Niger
Wolfgang Hüttel and Michael Müller
Structure      13C NMR   碳谱模拟图
3 .     [2-13C]-7-Hydroxy-4-methoxy-5-methylcoumarin
    相似度:63.6%
ChemBioChem          2007          8          521-529
Regio- and Stereoselective Intermolecular Oxidative Phenol Coupling in Kotanin Biosynthesis by Aspergillus Niger
Wolfgang Hüttel and Michael Müller
Structure      13C NMR   碳谱模拟图
4 .     compound 2
    相似度:60%
Journal of Heterocyclic Chemistry          2001          38          1231-1232
Synthesis and characterization of some coumarins with two hydroxy or methoxy substituents
Yagamare Fall, Lourdes Santana and Eugenio Uriarte
Structure      13C NMR   碳谱模拟图
5 .     isokotanin A
C24H22O8     相似度:58.3%
Journal of Natural Products          1994          Vol 57          128
Isokotanins A-C: New Bicoumarins from the Sclerotia of Aspergillus alliceus
Jodi A. Laakso, Elizabeth D. Narske, James B. Gloer, Donald T. Wicklow, Patrick F. Dowd
Structure      13C NMR   碳谱模拟图
6 .     7-methoxy-3,4-dihydropyrrolo[4,3,2-de]quinolin-8(1H)-one
C11H10N2O2     相似度:54.5%
Tetrahedron          2012          68          9376-9383
Total synthesis of makaluvamine A/D, damirone B, batzelline C, makaluvone, and isobatzelline C featuring one-pot benzyne-mediated cyclization–functionalization
Takashi Oshiyama, Takahito Satoh, Kentaro Okano, Hidetoshi Tokuyama
Structure      13C NMR   碳谱模拟图
7 .     N-(6-hydrazino-3-pyridyl)-N'-(1,2,2-trimethylpropyl)thiourea hydrochloride
    相似度:54.5%
Journal of Medicinal Chemistry          1994          37          18-25
Novel potassium channel openers: synthesis and pharmacological evaluation of new N-(substituted-3-pyridyl)-N'-alkylthioureas and related compounds
Tadahiro Takemoto, Masahiro Eda, Mitsuyoshi Hihara, Takehiro Okada, Hiroshi Sakashita, Miyuki Eiraku, Sumio Matzno, Maki Gohda, Hajime Ebisu,
Structure      13C NMR   碳谱模拟图
8 .     isoeleutherol
C14H12O4     相似度:50%
Chemical & Pharmaceutical Bulletin          1997          45          1714-1716
ELECANACIN, A NOVEL NEW NAPHTHOQUINONE FROM THE BULB OF ELEUTHERINE AMERICANA
Hidemitsu HARA,Naoki MARUYAMA,Shinsuke YAMASHITA,Yasuhisa HAYASHI,Kuo-Hsiung LEE,Kenneth F. BASTOW,CHAIRUL,Ryuji MARUMOTO and Yasuhiro IMAKURA
Structure      13C NMR   碳谱模拟图
9 .     7-hydroxy-4,6-dimethoxy-5-methylcoumarin
C12H12O5     相似度:50%
Molecules          2009          14          4433-4439
Chemical Constituents from Clematis delavayi var. spinescens
Yang Li, Si-Feng Wang, Yan-Li Zhao, Ke-Chun Liu, Xi-Min Wang, Yong-Ping Yang and Xiao-Li Li
Structure      13C NMR   碳谱模拟图
10 .     1,6-dihydroxy-5-methoxyxanthone
    相似度:50%
Natural Product Research          2009          23          539-545
Xanthones from roots of Calophyllum thwaitesii and their bioactivity
H. R. W. Dharmaratne; M. T. Napagoda; S. B. Tennakoon
Structure      13C NMR   碳谱模拟图
11 .     1,4-dihydro-2-hydrazino-4-quinolinone
C9H9N3O     相似度:50%
Journal of Heterocyclic Chemistry          2002          39          15-28
Synthesis of 2-amino-1,4-dihydro-4-quinolinones and diaminomethylene meldrum's acids derivatives as potential potassium channel openers
Béanéadicte Erb, Benoît Rigo, Bernard Pirotte and Daniel Couturier
Structure      13C NMR   碳谱模拟图
12 .     compound 4
Domyallbesttohaveahappylife.
2楼2013-07-04 18:20:05
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天下无双ts

木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
查询结果:共查到30个化合物(查询结果仅供参考)
1 .     7-hydroxy-4-methoxy-5-methylcoumrin
    相似度:63.6%
China Journal of Chinese Materia Medica          2003          28          47-49
虎杖化学成分研究
刘晓秋, 于黎明, 吴立军
Structure      13C NMR   碳谱模拟图
2 .     [2-13C]-4,7-Dihydroxy-5-methylcoumarin
    相似度:63.6%
ChemBioChem          2007          8          521-529
Regio- and Stereoselective Intermolecular Oxidative Phenol Coupling in Kotanin Biosynthesis by Aspergillus Niger
Wolfgang Hüttel and Michael Müller
Structure      13C NMR   碳谱模拟图
3 .     [2-13C]-7-Hydroxy-4-methoxy-5-methylcoumarin
    相似度:63.6%
ChemBioChem          2007          8          521-529
Regio- and Stereoselective Intermolecular Oxidative Phenol Coupling in Kotanin Biosynthesis by Aspergillus Niger
Wolfgang Hüttel and Michael Müller
Structure      13C NMR   碳谱模拟图
4 .     compound 2
    相似度:60%
Journal of Heterocyclic Chemistry          2001          38          1231-1232
Synthesis and characterization of some coumarins with two hydroxy or methoxy substituents
Yagamare Fall, Lourdes Santana and Eugenio Uriarte
Structure      13C NMR   碳谱模拟图
5 .     isokotanin A
C24H22O8     相似度:58.3%
Journal of Natural Products          1994          Vol 57          128
Isokotanins A-C: New Bicoumarins from the Sclerotia of Aspergillus alliceus
Jodi A. Laakso, Elizabeth D. Narske, James B. Gloer, Donald T. Wicklow, Patrick F. Dowd
Structure      13C NMR   碳谱模拟图
6 .     7-methoxy-3,4-dihydropyrrolo[4,3,2-de]quinolin-8(1H)-one
C11H10N2O2     相似度:54.5%
Tetrahedron          2012          68          9376-9383
Total synthesis of makaluvamine A/D, damirone B, batzelline C, makaluvone, and isobatzelline C featuring one-pot benzyne-mediated cyclization–functionalization
Takashi Oshiyama, Takahito Satoh, Kentaro Okano, Hidetoshi Tokuyama
Structure      13C NMR   碳谱模拟图
7 .     N-(6-hydrazino-3-pyridyl)-N'-(1,2,2-trimethylpropyl)thiourea hydrochloride
    相似度:54.5%
Journal of Medicinal Chemistry          1994          37          18-25
Novel potassium channel openers: synthesis and pharmacological evaluation of new N-(substituted-3-pyridyl)-N'-alkylthioureas and related compounds
Tadahiro Takemoto, Masahiro Eda, Mitsuyoshi Hihara, Takehiro Okada, Hiroshi Sakashita, Miyuki Eiraku, Sumio Matzno, Maki Gohda, Hajime Ebisu,
Structure      13C NMR   碳谱模拟图
8 .     isoeleutherol
C14H12O4     相似度:50%
Chemical & Pharmaceutical Bulletin          1997          45          1714-1716
ELECANACIN, A NOVEL NEW NAPHTHOQUINONE FROM THE BULB OF ELEUTHERINE AMERICANA
Hidemitsu HARA,Naoki MARUYAMA,Shinsuke YAMASHITA,Yasuhisa HAYASHI,Kuo-Hsiung LEE,Kenneth F. BASTOW,CHAIRUL,Ryuji MARUMOTO and Yasuhiro IMAKURA
Structure      13C NMR   碳谱模拟图
9 .     7-hydroxy-4,6-dimethoxy-5-methylcoumarin
C12H12O5     相似度:50%
Molecules          2009          14          4433-4439
Chemical Constituents from Clematis delavayi var. spinescens
Yang Li, Si-Feng Wang, Yan-Li Zhao, Ke-Chun Liu, Xi-Min Wang, Yong-Ping Yang and Xiao-Li Li
Structure      13C NMR   碳谱模拟图
10 .     1,6-dihydroxy-5-methoxyxanthone
    相似度:50%
Natural Product Research          2009          23          539-545
Xanthones from roots of Calophyllum thwaitesii and their bioactivity
H. R. W. Dharmaratne; M. T. Napagoda; S. B. Tennakoon
Structure      13C NMR   碳谱模拟图
11 .     1,4-dihydro-2-hydrazino-4-quinolinone
C9H9N3O     相似度:50%
Journal of Heterocyclic Chemistry          2002          39          15-28
Synthesis of 2-amino-1,4-dihydro-4-quinolinones and diaminomethylene meldrum's acids derivatives as potential potassium channel openers
Béanéadicte Erb, Benoît Rigo, Bernard Pirotte and Daniel Couturier
Structure      13C NMR   碳谱模拟图
12 .     compound 4
    相似度:50%
Journal of Heterocyclic Chemistry          2001          38          1231-1232
Synthesis and characterization of some coumarins with two hydroxy or methoxy substituents
Yagamare Fall, Lourdes Santana and Eugenio Uriarte
Structure      13C NMR   碳谱模拟图
13 .     compound 6
    相似度:50%
Journal of Heterocyclic Chemistry          2001          38          1231-1232
Synthesis and characterization of some coumarins with two hydroxy or methoxy substituents
Yagamare Fall, Lourdes Santana and Eugenio Uriarte
Structure      13C NMR   碳谱模拟图
14 .     4-Methoxy-2-methyl-5-trifluoromethanesulfonyloxybenzaldehyde
C10H9F3O5S     相似度:50%
Tetrahedron Letters          2002          43          7077-7078
The reaction of aryl triflates and aryl pivalates with electrophiles. The triflate as a meta-directing group
George A. Kraus, Wenge Cui, Young Ho Seo
Structure      13C NMR   碳谱模拟图
15 .     isoeleutherol
    相似度:50%
Chinese Journal of Medicinal Chemistry          2005          15          157-161
Studies on the antifungal constituents isolated from Eleutherine americana
XU Jin-zhong, QIU Feng, QU Ge-xia, WANG Nai-li, YAO Xin-sheng
Structure      13C NMR   碳谱模拟图
16 .     (3R)-5,6-dihydroxymellein
    相似度:50%
Heterocycles          2011          83          2157-2164
Aromatic Compounds from Cultured Lichen Mycobionts of Three Graphis Species
Yukiko Takenaka, Nobuo Hamada, and Takao Tanahashi*
Structure      13C NMR   碳谱模拟图
17 .     4-Methoxy-5,6-dimethyl-2-pyroe
C8H10O3     相似度:50%
Journal of the Chemical Society, Perkin Transactions 1          1991                   1941-1945
Total synthesis of citreomontanin, a putative polyene precursor to citreoviridin and citreoviridinol produced by Penicillium sp.
Prakash Patel and Gerald Pattenden
Structure      13C NMR   碳谱模拟图
18 .     (4-Iodophenyl)(4-methoxyphenyl)iodonium triflate
C14H13F3I2O4S     相似度:50%
Tetrahedron          2012          68          4112-4116
Convenient preparation of (4-iodophenyl)aryliodonium salts
Jens Cardinale, Johannes Ermert, Heinz H. Coenen
Structure      13C NMR   碳谱模拟图
19 .     5,7-dihydroxy-3-(hydroxymethyl)-4H-chromen-4-one
C10H8O5     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          2864-2871
Synthesis of a novel series of diphenolic chromone derivatives as inhibitors of NO production in LPS-activated RAW264.7 macrophages
Guo-Biao Liu, Jian-Liang Xu, Mei Geng, Rui Xu, Rong-Rong Hui, Jian-Wei Zhao, Qiang Xu, Hong-Xi Xu, Jian-Xin Li
Structure      13C NMR   碳谱模拟图
20 .     4-[(E)-3-amino-2-cyano-3-oxoprop-1-en-1-yl]phenyl acetate
C12H10N2O3     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          7318-7337
Arylcyanoacrylamides as inhibitors of the Dengue and West Nile virus proteases
Christoph Nitsche, Christian Steuer, Christian D. Klein
Structure      13C NMR   碳谱模拟图
21 .     2,2'-{[4-(4-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]dicarbonyl}dihydrazinecarboxamide
    相似度:50%
Indian Journal of Chemistry          2011          50B          1140-1144
Synthesis and anticancer activity of some new series of 1, 4-dihydropyridine derivatives
Kumar, R Surendra; Idhayadhulla, A; Nasser, A Jamal Abdul; Murali, K
Structure      13C NMR   碳谱模拟图
22 .     4-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)thiazole-2-carbothioamide
C10H8N2O3S2     相似度:50%
Journal of Heterocyclic Chemistry          2011          48          31-37
Synthesis and reactivity of 6-methyl-4H-furo[3,2c]pyran-3,4-dione
Djamila Hikem-Oukacha, Yahïa Rachedi, Maamar Hamdi and Artur M.S. Silva
Structure      13C NMR   碳谱模拟图
23 .     2,2'-(methylene-bis(sulfanediyl))bis(4-methyl-6-oxo-1,6-dihydropyridine-3-carboxamide)
C15H16N4O4S2     相似度:50%
Molecules          2012          17          6930-6943
Bromination and Diazo-Coupling of Pyridinethiones; Microwave Assisted Synthesis of Isothiazolopyridine, Pyridothiazine and Pyridothiazepines
Ayman M. S. Youssef, Mohamed E. Azab and Mohamed M. Youssef
Structure      13C NMR   碳谱模拟图
24 .     N-(4-chlorophenyl)-N'-[(4-methoxy-2-thienyl)sulfonyl]urea
C12H11ClN2O4S2     相似度:50%
Journal of Medicinal Chemistry          1992          35          3012-3016
Sulfonylureas: a new class of cancer chemotherapeutic agents
Fariborz Mohamadi, Michael M. Spees, Gerald B. Grindey
Structure      13C NMR   碳谱模拟图
25 .     triethoxy(7-methoxybenzo[d][1,3]dioxol-5-yl)silane
C14H22O6Si     相似度:50%
Heterocycles          2012          86          1055-1069
Advances in Siloxane-Based Coupling Reactions: Application of Palladium-Mediated Allyl-Aryl Coupling to the Synthesis of Pancratistatin Derivatives. The Formal Total Synthesis of (±)-7-Deoxypancratistatin
Krupa H. Shukla and Philip DeShong
Structure      13C NMR   碳谱模拟图
26 .     5-bromomethyl-3-(3-nitrophenyl)-isoxazole
C10H7BrN2O3     相似度:50%
Journal of the Iranian Chemical Society          2010          7          685-694
Synthesis and characterization of 2-alkyl -5-{4-[(3-nitrophenyl-5-isoxazolyl)methoxy]phenyl}-2H-tetrazoles
Y. R. Mirzaei, L. Edjlali
Structure      13C NMR   碳谱模拟图
27 .     5-bromomethyl-3-(4-nitrophenyl)-isoxazole
C10H7BrN2O3     相似度:50%
Journal of the Iranian Chemical Society          2010          7          685-694
Synthesis and characterization of 2-alkyl -5-{4-[(3-nitrophenyl-5-isoxazolyl)methoxy]phenyl}-2H-tetrazoles
Y. R. Mirzaei, L. Edjlali
Structure      13C NMR   碳谱模拟图
28 .     4-methoxy-6-methyl-2H-pyran-2-one
    相似度:50%
European Journal of Organic Chemistry          2012                   3607-3616
Heck–Matsuda Arylation as a Strategy to Access Kavalactones Isolated from Polygala sabulosa, Piper methysticum, and Analogues
Cristian Soldi, Angélica V. Moro, Moacir G. Pizzolatti and Carlos R. D. Correia
Structure      13C NMR   碳谱模拟图
29 .     4-[(3-fluorophenylsulfonyl)methyl]-2-methyl-5-nitro-1,3-thiazole
C11H9FN2O4S2     相似度:50%
Molecules          2013          18          97-113
Synthesis and Promising in Vitro Antiproliferative Activity of Sulfones of a 5-Nitrothiazole Series
Anita Cohen, Maxime D. Crozet, Pascal Rathelot, Nadine Azas and Patrice Vanelle
Structure      13C NMR   碳谱模拟图
30 .     7-Methyl-pyrano[4,3-b]pyridin-5-one
C9H7NO2     相似度:50%
Tetrahedron          2012          68          5391-5395
ortho-Induced transition-metal-free C-arylation cyclization reaction for the synthesis of polysubstituted isocoumarins
Lei Liu, Jie Hu, Xiang-Chuan Wang, Mei-Jin Zhong, Xue-Yuan Liu, Shang-Dong Yang, Yong-Min Liang
Structure      13C NMR   碳谱模拟图
3楼2013-07-04 18:20:16
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