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wangkaibo123

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kerry

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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96个化合物(查询结果仅供参考)
1 .     compound 6a
    相似度:62.5%
Chemical & Pharmaceutical Bulletin          1982          30          2780-2786
Studies on the Constituents of Pollen. X. On the Constituents of Pollen Grains of Ambrosia elatior LINNE (2)
TAICHI OHMOTO,KEIJI IKEDA and TAKEO CHIBA
Structure      13C NMR   碳谱模拟图
2 .     compound 6b
    相似度:62.5%
Chemical & Pharmaceutical Bulletin          1982          30          2780-2786
Studies on the Constituents of Pollen. X. On the Constituents of Pollen Grains of Ambrosia elatior LINNE (2)
TAICHI OHMOTO,KEIJI IKEDA and TAKEO CHIBA
Structure      13C NMR   碳谱模拟图
3 .     (2R,3R,5S)-α-thujone
    相似度:62.5%
Natural Product Research          1994          4          263-266
Biotransformation of Terpenic Compounds by Fungi. II - Metabolism of α-(-)-thujone
Mustapha Ismaili Alaoui; Bachir Benjilali; Robert Azerad
Structure      13C NMR   碳谱模拟图
4 .     (R)-6-isopropylpiperidin-2-one
    相似度:62.5%
Tetrahedron          2012          68          10218-10229
A [3+3] cyclization strategy for asymmetric synthesis of alkyl substituted piperidine-2-ones using 1,2-cyclic sulfamidates: a formal synthesis of (S)-coniine from l-norvaline
Abdullah Karanfil, Berrin Balta, Mustafa Eskici
Structure      13C NMR   碳谱模拟图
5 .     r-2,t-3,t-5-trimethyltetrahydropyran
    相似度:62.5%
Organic Magnetic Resonance          1983          21          94-107
Carbon-13 NMR spectra of saturated heterocycles: XI—Tetrahydropyrans (oxanes)
Ernest L. Eliel, Muthiah Manoharan, K. Michal Pietrusiewicz and Karl D. Hargrave
Structure      13C NMR   碳谱模拟图
6 .     compound 8a
    相似度:55.5%
Zeitschrift für Naturforschung B          2007          62          1174-1182
Triethylborane: An "Old" Reagent with New Functions. 1,2-Hydroboration
B. Wrackmeyer, E. Khan, S. Bayer, and K. Shahid
Structure      13C NMR   碳谱模拟图
7 .     compound 7
    相似度:55.5%
Organic Magnetic Resonance          1983          21          352-356
The carbon-13 nuclear magnetic resonance spectra of some -spirocyclopropyl ketones and related cyclohex-2-en-1-ones and 2-ethylidenecyclohex-3-en-1-ones
Patrick Hugh Helferty and Peter Yates
Structure      13C NMR   碳谱模拟图
8 .     compound 97
    相似度:55.5%
Organic Magnetic Resonance          1975          7          426-432
13C-NMR-Spektren von Monoterpenen
F. Bohlmann, R. Zeisberg and E. Klein
Structure      13C NMR   碳谱模拟图
9 .     α-thujone β-thujone
    相似度:55.5%
Flavour and Fragrance Journal          1996          11          231-238
Dalmatian Sage. Part 1. Differing Oil Yields and Compositions from Flowering and Non-Flowering Accessions
Nigel B. Perry, Anthony J. Baxter, Nerida J. Brennan, John W. van Klink, Jennifer A. McGimpsey, Malcolm H. Douglas and Daniel Joulain
Structure      13C NMR   碳谱模拟图
10 .     (-)(1R*, 2S*, 3S*, 4S*)-1,2,3,4-tetrahydroxy-p-menthane
C10H19O3     相似度:50%
Journal of Natural Products          2000          63          989-991
Highly Oxygenated Monoterpenes from Chenopodium ambrosioides
Ahmed A. Ahmed
Structure      13C NMR   碳谱模拟图
11 .     compound 4a
    相似度:50%
Journal of Natural Products          2000          63          989-991
Highly Oxygenated Monoterpenes from Chenopodium ambrosioides
Ahmed A. Ahmed
Structure      13C NMR   碳谱模拟图
12 .     compound 15
    相似度:50%
Journal of Natural Products          1997          60          959-966
Isolation, Structure Elucidation, and Biological Activity of the Steroid Oligoglycosides and Polyhydroxysteroids from the Antarctic Starfish Acodontaster conspicuus
Simona De Marino, Maria Iorizzi, Franco Zollo, Luigi Minale, Charles D. Amsler, Bill J. Baker, and James B. McClintock
Structure      13C NMR   碳谱模拟图

化合物1可能是甾醇
Domyallbesttohaveahappylife.
11楼2013-07-16 20:27:22
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wangkaibo123

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kerry

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【答案】应助回帖

化合物 2   黄铜类
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765个化合物(查询结果仅供参考)
1 .     penicillocitrin A
C16H12O6     相似度:81.2%
Natural Product Communications          2013          8          587-588
A New Metabolite from the Endophytic Fungus Penicillium citrinum
Xinlan Li, Liang Zhang, Yanhui Liu, Zhiyong Guo, Zhangshuang Deng, Jianfeng Chen, XuanTu and Kun Zou
Structure      13C NMR   碳谱模拟图
2 .     3,6,8-trihydroxy-1-methylxanthone
    相似度:68.7%
Chinese Traditional and Herbal Drugs          2010          41          1239-1242
Chemical constituents of medicinal fungus Shiraia bambusicola
LIU Shuang-zhu; ZHAO Wei-min
Structure      13C NMR   碳谱模拟图
3 .     5,7-dihidroxi-2',4'-dimetoxiisoflavone
    相似度:64.7%
Journal of the Brazilian Chemical Society          1995          6          349-352
Unambiguous 1H- and 13C-NMR Assignments of Isoflavonas from Virola caducifolia.
Solange Aparecida dos Santos, Mario Geraldo de Carvalho and Raimundo Braz-Filho
Structure      13C NMR   碳谱模拟图
4 .     3,6,8-Trihydroxy-1-methylxanthone
C14H10O5     相似度:62.5%
Journal of Natural Products          2003          66          706-708
Two New Xanthone Derivatives from the Algicolous Marine Fungus Wardomyces anomalus
Ahmed Abdel-Lateff, Christine Klemke, Gabriele M. Knig, and Anthony D. Wright
Structure      13C NMR   碳谱模拟图
5 .     5,7,2',6'-Tetrahydroxyflavone
C15H10O6     相似度:62.5%
Chemistry of Natural Compounds          2002          38          358-406
PHENOLIC COMPOUNDS OF PLANTS OF THE Scutellaria L. GENUS. DISTRIBUTION, STRUCTURE, AND PROPERTIES
V. M. Malikov and M. P. Yuldashev
Structure      13C NMR   碳谱模拟图
6 .     5,7,2'-Trihydroxy-6'-methoxyflavone
C16H12O6     相似度:62.5%
Chemistry of Natural Compounds          2002          38          358-406
PHENOLIC COMPOUNDS OF PLANTS OF THE Scutellaria L. GENUS. DISTRIBUTION, STRUCTURE, AND PROPERTIES
V. M. Malikov and M. P. Yuldashev
Structure      13C NMR   碳谱模拟图
7 .     5,7,2',4'-tetrahydroxy-3-methoxyflavone
C16H12O7     相似度:62.5%
Chinese Chemical Letters          2008          19          196-198
A new benzofuranolignan and a new flavonol derivative from the stem of Morus australis
Qing Jian Zhang, Di Zao Li, Ruo Yun Chen, De Quan Yu
Structure      13C NMR   碳谱模拟图
8 .     chrysoeriol
    相似度:62.5%
China Journal of Chinese Materia Medica          2009          34          294-297
Studies on chemical components of Lobelia chinensis
JIANG Yanyan, SHI Renbing , LIU Bin, WANG Qiuying, DAI Ying
Structure      13C NMR   碳谱模拟图
9 .     2-methyl-5,7-dihydroxy-chromone-7-O-β-D-glucopyranoside
    相似度:62.5%
Natural Product Sciences          2004          10          173-176
Chemical Constituents of the Leaves of Staphylea bumalda
Sohn, Soon-Joo; Kwon, Yong-Soo; Kim, Sung-Soo; Chun, Wan-Joo; Kim, Chang-Min
Structure      13C NMR   碳谱模拟图
10 .     norartocarpetin
    相似度:62.5%
Phytochemistry          1995          39          1447-1451
Flavonoids from Artocarpus heterophyllus
Chun-Nan Lin, Chai-Ming Lu, Pao-Lin Huang
Structure      13C NMR   碳谱模拟图
11 .     Trichodermaxanthone
C16H12O6     相似度:62.5%
Archives of Pharmacal Research          2012          35          461-468
Tetrahydroanthraquinone and Xanthone Derivatives from the Marine-Derived Fungus Trichoderma aureoviride PSU-F95
Nanthaphong Khamthong,Vatcharin Rukachaisirikul,Kwanruthai Tadpetch,Morakot Kaewpet,Souwalak Phongpaichit,Sita Preedanon,and Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图
12 .     Morin
    相似度:62.5%
Magnetic Resonance in Chemistry          2009          47          1043-1054
NMR of a series of novel hydroxyflavothiones (pages 1043–1054)
Tuyen Kim Pham Nguyen, Kim Phi Phung Nguyen, Fadhil S. Kamounah, Wei Zhang and Poul Erik Hansen
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
12楼2013-07-16 20:29:22
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wangkaibo123

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kerry

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
tutuxjw: 金币+15, 有帮助, 谢谢通过微谱查询,但是还是解不出来,希望能通过谱图解出一些结构来 2013-07-16 21:03:08
数据不全 怎么解??化合物3
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63个化合物(查询结果仅供参考)
1 .     2-Isopropylphenol
    相似度:62.5%
Chemistry of Natural Compounds          2008          44          450-454
REACTION OF MENTHOL AND PHENOL IN THE PRESENCE OF ALUMINIUM ALKOXIDES
I. Yu. Chukicheva, I. V. Fedorova,A. A. Koroleva, and A. V. Kuchin
Structure      13C NMR   碳谱模拟图
2 .     compound 5e
C10H12N4S2     相似度:62.5%
Archiv der Pharmazie          2003          336          230-235
Synthesis of 5-(4-Alkylsulfanyl-[1,2,5]Thiadiazol-3-yl)-3-Methyl-1,2,3,4-Tetrahydropyrimidine Oxalate Salts and their Evaluation as Muscarinic Receptor Agonists
Myung Hee Jung, Jewn-Giew Park and Woo-Kyu Park
Structure      13C NMR   碳谱模拟图
3 .     deoxymuta-aspergillic acid
    相似度:55.5%
Chemical & Pharmaceutical Bulletin          1996          44          2295-2262
Amino Acids and Peptides. XLVII. Facile Synthesis of Flavacol, Deoxymuta-aspergillic Acid and Optically Active Deoxyaspergillic Acid from Dipeptidyl Aldehydes
Yoshio OKADA,Hiroaki TAGUCHI and Toshio YOKOI
Structure      13C NMR   碳谱模拟图
4 .     1,2,3,4-Tetrahydrochinolin
    相似度:55.5%
Helvetica Chimica Acta          1976          59          903-907
13C-NMR.-Spektren N-acylierter Indoline. Einfluss der Orientierung der Carbonylgruppe auf die chemische Verschiebung
Hans Fritz und Tammo Winkler
Structure      13C NMR   碳谱模拟图
5 .     Compound 3d
    相似度:55.5%
Bioorganic & Medicinal Chemistry Letters          2006          16          2693-2698
Discovery of bitriazolyl compounds as novel antiviral candidates for combating the tobacco mosaic virus
Yi Xia, Zhijin Fan, Jianhua Yao, Quan Liao, Wei Li, Fanqi Qu, Ling Peng
Structure      13C NMR   碳谱模拟图
6 .     thymol
    相似度:55.5%
Food Chemistry          2011          124          58-64
Determination of antioxidant activities of various extracts and essential oil compositions of Thymus praecox subsp. skorpilii var. skorpilii
Tevfik Ozen, Ibrahim Demirtas, Huseyin Aksit
Structure      13C NMR   碳谱模拟图
7 .     thymol
    相似度:55.5%
Journal of Ethnopharmacology          2005          99          287-292
Isolation and antimicrobial activity of two phenolic compounds from Pulicaria odora L.
A. Ezoubeiri, C.A. Gadhi, N. Fdil, A. Benharref, M. Jana, M. Vanhaelen
Structure      13C NMR   碳谱模拟图
8 .     thymol
    相似度:55.5%
Natural Product Communications          2008          3          823-828
Thymol and its Derivatives as Antimicrobial Agents
Ajai Kumar, Suriya P. Singh and Sudarshan S. Chhokar
Structure      13C NMR   碳谱模拟图
9 .     Thymol
    相似度:55.5%
Natural Product Communications          2010          5          1107-1110
Isothymol in Ajowan Essential Oil
Chahrazed Bekhechi, Jean Brice Boti, Fewzia Atik Bekkara, Djamel Eddine Abdelouahid,Joseph Casanova and Félix Tomi
Structure      13C NMR   碳谱模拟图
10 .     methyl (3,6-diisobutyl-5-methoxycarbonylmethylpyrazin-2-yl)-acetate
C18H28N2O4     相似度:50%
Journal of Natural Products          2007          70          1073-1083
Antineoplastic Agents. 561. Total Synthesis of Respirantin
George R. Pettit,Thomas H. Smith, Song Feng, John C. Knight, Rui Tan, Robin K. Pettit, and Peter A. Hinrichs
Structure      13C NMR   碳谱模拟图
11 .     thymol
    相似度:50%
Chemical & Pharmaceutical Bulletin          1989          37          1816-1819
Structure and Activity of New Deodorant Biphenyl Compounds from Thyme (Thymus vulgaris L.)
Kayoko MIURA,Takashi INAGAKI and Nobuji NAKATANI
Structure      13C NMR   碳谱模拟图
12 .     2-Selanyl-3,4-dihydroquinazoline-4-one
C8H6N2Ose     相似度:50%
Molecules          2000          5          37-50
Acid-Base Initiated Cyclization and Retrocyclization Reactions of Ethyl 2-(3-Acylselenoureido)benzoates, -thiophene-3-carboxylates and the Corresponding 2-(3-Acylisoselenoureido) Derivatives
Jiri Sibor, Dalimil Zurek, Otakar Humpa and Pavel Pazdera
Structure      13C NMR   碳谱模拟图
13 .     Bis(benzylcarbamoyl)-1,4-butylenediamine
C20H26N4O2     相似度:50%
Molecules          2008          13          3192-3197
Synthesis of Bis-ureas from Bis(o-nitrophenyl) Carbonate
Maria-Cristina Turoczi, Monika Simon, Valentin Badea and Carol Csunderlik
Structure      13C NMR   碳谱模拟图
14 .     zoanthoxanthin
    相似度:50%
Journal of Natural Products          1993          Vol 56          9
13C-nmr Assignments and Cytotoxicity Assessment of Zoanthoxanthin Alkaloids from Zoanthid Corals
Carlos Jiménez, Phillip Crews
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
13楼2013-07-16 20:31:10
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