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mrdone.0907金虫 (正式写手)
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[求助]
求助：微谱数据查询
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大家好，我有两个化合物想求助一下微谱查询，很急，谢谢。我使用的溶剂是丙酮，谢谢。 13C NMR (101 MHz, Acetone) δ 178.56, 149.11, 142.33, 134.67, 109.94, 107.41, 70.35, 56.97, 48.64, 48.29, 40.58, 39.06, 33.01, 27.71, 26.24, 24.66, 23.66, 12.86, 11.71. 13C NMR (151 MHz, Acetone) δ 183.51, 165.04, 164.12, 162.90, 162.13, 156.45, 128.96, 122.93, 116.79, 105.33, 103.61, 99.80, 99.50.（这个应该是个双黄酮分子量为538） |
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mrdone.0907
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mrdone.0907: 回帖置顶 2012-08-18 21:29:30
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13C NMR (101 MHz, Acetone) δ 11.71, 12.86, 23.66, 24.66, 26.24, 27.71, 33.01, 39.06, 40.58, 48.29, 48.64, 56.97, 70.35, 107.41, 109.94, 134.67, 142.33, 149.11,178.56. 13C NMR (151 MHz, Acetone) δ 99.50, 99.80, 103.61, 105.33, 116.79, 122.93, 128.96, 156.45, 162.13, 162.90, 164.12, 165.04,183.51. |
5楼2012-08-18 21:29:05
火箭穿屁屁
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2楼2012-08-18 15:43:38
火箭穿屁屁
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3楼2012-08-18 15:45:55
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4楼2012-08-18 16:00:23
火箭穿屁屁
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【答案】应助回帖
★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2012-08-20 09:35:36
mrdone.0907: 金币+5, ★有帮助 2012-08-20 19:15:14
感谢参与，应助指数 +1
jiangchunyong: 金币+1, 谢谢 2012-08-20 09:35:36
mrdone.0907: 金币+5, ★有帮助 2012-08-20 19:15:14
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查询结果：共查到3个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . henrilabdane A C20H32O4 相似度:50% Phytochemistry 2008 69 2867-2874 Bis-sesquiterpenes and diterpenes from Chloranthus henryi Chuang-Jun Li, Dong-Ming Zhang, Yong-Ming Luo, Shi-Shan Yu, Yan Li, Yang Lu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 16-Methyl-12,15-epoxy-8(17),13-labdadien-19-oic acid C20H30O3 相似度:50% Journal of Asian Natural Products Research 2006 8 677-682 Labdane diterpenes from the seeds of Platycladus orientalis X.-Y. REN and Y. YE Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . lambertianic acid C20H28O3 相似度:50% Acta Pharmaceutica Sinica 2005 Vol 40 435-437 Studies on chemical constituents of Pinus armandii YANG Xin; DING Yi; SUN Zhi-hao; ZHANG Dong-ming Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
6楼2012-08-20 07:00:02
火箭穿屁屁
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【答案】应助回帖
★ ★ ★ ★ ★
mrdone.0907: 金币+5, ★有帮助 2012-08-20 19:15:49
mrdone.0907: 金币+5, ★有帮助 2012-08-20 19:15:49
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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 99.50,99.80,103.61,105.33,116.79,122.93,128.96,156.45,162.13,162.90,164.12,165.04,183.51 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30个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . apigenin 相似度:84.6% Chinese Traditional and Herbal Drugs 2010 41 526-529 Flavonoids from Ficus sarmentosa var. henryi WANG Xue-gui; SHEN Li-tao; ZENG Yun-yun; TIAN Yong-qing; XU Han-hong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . apigenin 相似度:73.3% Chinese Traditional and Herbal Drugs 2006 37 1622-1626 Flavonoids isolated from flowers of Althaea rosea FENG Yu-lin; LI Yun-qiu; XU Li-zhen; YANG Shi-lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . acacetin 相似度:64.2% Chinese Pharmaceutical Journal 2009 44 894-897 Studies on Chemical Constituents of Flos Chrysanthemi indici BI Yue-feng, PAN Cheng-xue, WANG Pu-ju, PEI Shan-shan, ZHANG Yan-bing, LIU Hong-min Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 6-Demethoxycapillarisin 相似度:61.5% Phytochemistry 1991 30 3837-3838 2-Phenoxychromones and a structurally related flavone from leaves ofRosa rugosa Yyasuyuki Hashidoko, Satoshi Tahara, Junya Mizutani Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . apigenin 相似度:61.5% Chinese Traditional and Herbal Drugs 2009 40 1712-1715 卷柏调血脂活性部位化学成分研究 郑晓珂;赵献敏;冯卫生;王彦志;郭永慧 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . tricin 相似度:61.5% Chinese Pharmaceutical Journal 2010 45 980-983 The Chemical Constituents of Chrysanthemi indici L.(Ⅱ) BI Yue-feng, JIA Lu, SUN Xiao-li, WANG Pu-Ju, LIU Xiao-qing, ZHANG Yan-bing Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . Atalantoflavone C20H16O5 相似度:58.8% Magnetic Resonance in Chemistry 2010 48 83-88 Complete 1H and 13C NMR data assignment of new constituents from Severinia buxifolia (pages 83–88) Markus Bacher, Günter Brader, Harald Greger and Otmar Hofer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 6-Demethoxy-4'-O-methylcapillarisin 相似度:57.1% Phytochemistry 1991 30 3837-3838 2-Phenoxychromones and a structurally related flavone from leaves ofRosa rugosa Yyasuyuki Hashidoko, Satoshi Tahara, Junya Mizutani Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . chrysoeriol 相似度:56.2% Chinese Traditional and Herbal Drugs 2010 41 526-529 Flavonoids from Ficus sarmentosa var. henryi WANG Xue-gui; SHEN Li-tao; ZENG Yun-yun; TIAN Yong-qing; XU Han-hong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . apigenin 相似度:53.8% Chinese Traditional and Herbal Drugs 2010 41 1957-1960 唐古特雪莲的化学成分研究 徐彦;吴春蕾;刘圆;张志锋 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . cirsimaritin 相似度:53.8% Journal of Shenyang Pharmaceutical University 2006 23 212-215 Chemical constituents of Isodon lophanthoides (Buch. Ham. ex D. Don) Hara var. gerandianus (Benth.) Hara ZHANG Long, ZHOU Guang-xiong, LI Qian, DAI Yi, YE Wen-cai, YAO Xin-sheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . chrysin 相似度:53.3% Journal of Natural Products 1997 60 632-634 Two New Biflavonoids from Ochna obtusata K. V. Rao, K. Sreeramulu, C. Venkata Rao, and D. Gunasekar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . lupinalbin A 相似度:53.3% Acta Pharmaceutica Sinica 2008 Vol 43 67-70 Chemical constituents from Spatholobus sinensis YIN Ting; LIU Hua; WANG Bin; TU Guang-zhong; LIANG Hong; ZHAO Yu-ying Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . norartocarpetin 相似度:53.3% 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 -------------------------------------------------------------------------------- 15 . apigenin 相似度:53.3% Chinese Traditional and Herbal Drugs 2005 36 17-20 Flavonoids and spiro-lactones from Hypericum hookerianum 罗蕾; 李祖强; 马国义 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . Luteolin 相似度:53.3% Records of Natural Products 2011 5 12-21 Relationship Between Chemical Structure and Antioxidant Activity of Luteolin and Its Glycosides Isolated from Thymus sipyleus subsp. sipyleus var. sipyleus Ufuk Özgen*, Ahmet Mavi, Zeynep Terzi, Cavit Kazaz, Ali Asçı, Yusuf Kaya and Hasan Seçen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . dinklagin B C20H18O6 相似度:50% Phytochemistry 2002 61 99-104 Dinklagins A, B and C: three prenylated flavonoids and other constituents from the twigs of Dorstenia dinklagei Bonaventure T. Ngadjui, Etienne Dongo, Berhanu M. Abegaz,Serge Fotso, Helene Tamboue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 3,6,8-Trihydroxy-1-methylxanthone C14H10O5 相似度:50% 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 -------------------------------------------------------------------------------- 19 . (±)-3-hydroxyvestitone C16H14O6 相似度:50% Chemistry of Natural Compounds 2001 37 29-31 ISOFLAVONOIDS FROM HEARTWOOD OF Maackia amurensis RUPR. ET MAXIM. N. I. Kulesh, O. B. Maksimov,V. A. Denisenko, and V. P. Glazunov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 4',5,7-trihydroxyflavone-(6→8'')-4''',5''-dihydroxy-7''-methoxyflavone 相似度:50% Phytochemistry 1999 51 833-838 A flavone dimer from Ouratea hexasperma Isabel C.Moreira, Mario G. de Carvalho, Ana Beatriz F.O. Bastos, Raimundo Braz-Filho Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 6-dernethoxy-7-methylcapillarisin C16H12O6 相似度:50% Journal of Natural Products 1993 Vol 56 275 Three New 2-Phenoxychromones from the Leaves of Epimedium sagittatum Yu-Lin Huang, Jun-Chih Ou, Chief-Fu Chen, Chien-Chih Chen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 5,7,4'-Trihydroxy-6-(3-methylbut-3-enyl)flavone C20H18O5 相似度:50% Phytochemistry 1994 37 893-898 Two isoflavones and a flavone from the fruits of Maclura pomifera Giuliano Delle Monache, Rosalba Scurria, Alberto Vitali, Bruno Botta, Barbara Monacelli, Gabriella Pasqua, Cleofe Palocci, Enrico Cernia Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . gancaonin O 相似度:50% Phytochemistry 1991 30 1245-1250 Six prenylated phenols from Glycyrrhiza uralensis Toshio Fukai, Wang Qing-Hua, Taro Nomura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . erodiol C14H8O7 相似度:50% Zeitschrift für Naturforschung B 2005 60b 555-560 Tannins and Flavonoids from the Erodium cicutarium Herb Izabela Fecka and Wojciech Cisowski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 山柰甲黄素 相似度:50% Chinese Traditional and Herbal Drugs 2009 40 366-368 宽叶大戟中黄酮类化学成分的研究 张雷红;江永南;罗懿斌;叶文才 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 4',5,7-trihydroxy-8-methylflavanone 相似度:50% Natural Product Research and Development 2009 21 612-615 Flavonoids from the Aerial Parts of Rhododendron primulaeflorum LI Xue-feng;JIN Hui-zi; CHEN Gang; YANG Ming; ZHU Yan; SHEN Yun-heng; YAN Shi-kai; ZHANG Wei-dong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . Genkwanin C16H12O5 相似度:50% Chemistry of Natural Compounds 2011 47 132-134 Genkwanin and iridoid glycosides from Leonurus turkestanicus I. M. Isaev, M. A. Agzamova and M. I. Isaev Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 1,3,6-trihydroxy-8-methyl-9H-xanthen-9-one C14H10O5 相似度:50% Acta Scientiarum Naturalium Universitatis Sunyatseni 2009 48(4) 133-136 The Secondary Metabolites of the Mangrove Endophytic Fungus(ZZF13) from the South China Sea XIA Xuekui, LI Qing, SHAO Changlun, LIU Changheng, SHE Zhigang, LIN Yongcheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 1,3,6-trihydroxyl-8-methyl-xanthone C14H10O5 相似度:50% Acta Scientiarum Naturalium Universitatis Sunyatseni 2007 46(6) 59-62 Study on Secondary Metabolites and Biological Activities from Mangrove Endophytic Fungus NO.SBE-14 GUO Zhi-yong, WEN Lu, HUANG Zhong-jing, ZOU Kun, SHE Zhi-gang, LIN yong-cheng, FU Li-wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . Chrysoeriol C16H12O6 相似度:50% Journal of Agricultural and Food Chemistry 2011 59 9581-9587 Isolation and Identification of Flavonoids Accumulated in Proanthocyanidin-free Barley Hiroshi Nakano, Naoyuki Kawada, Mitsuru Yoshida, Hiroshi Ono, Rika Iwaura, and Takuji Tonooka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
7楼2012-08-20 07:01:07
