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laiyin_111木虫 (正式写手)
梦想家
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[求助]
求助13C微谱数据
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化合物15个碳，为倍半萜类化合物。 13C-NMR数据如下： 15.2,17.7,20.4,38.1,40.1,40.5,41.3,42.1,46.2,110.7,126.3,146.5,160.4,199.6,202.2 麻烦高手赐教！多谢啦！ |
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chzhbin
金虫 (职业作家)
- 应助: 20 (小学生)
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【答案】应助回帖
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感谢参与，应助指数 +1
laiyin_111: 金币+10, ★★★很有帮助, 谢谢您啦！ 2012-06-16 16:27:09
感谢参与，应助指数 +1
laiyin_111: 金币+10, ★★★很有帮助, 谢谢您啦！ 2012-06-16 16:27:09
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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 15.2,17.7,20.4,38.1,40.1,40.5,41.3,42.1,46.2,110.7,126.3,146.5,160.4,199.6,202.2 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37个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . (+)-(4R,5S,7R)-11,12-Dihydroxynootkatone 相似度:60% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . rishitinone C15H24O2 相似度:60% Bulletin of the Chemical Society of Japan 1982 55 2428-2433 Structure of Rishitinone, a Valencane Stress Metabolite in Diseased Potato Nobukatsu Katsui, Fujio Yagihashi, Akio Murai, Tadashi Masamune Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 3α,8α-Dihydroxypathoulol C15H26O3 相似度:60% Helvetica Chimica Acta 2011 94 218-223 New Patchoulol-Type Sesquiterpenoids from Pogostemon cablin Lei Zhou, Min Xu, Chong-Ren Yang, Yi-Fei Wang and Ying-Jun Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 1-naphthalene acetic-7-oxo-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl acid C16H24O3 相似度:56.2% Phytochemistry 1992 31 1823-1825 Tetranorditerpenes from Detarium microcarpum Rita Aquino, Maria Letizia Ciavatta, Nunziatina De Tommasi, Eszter Gàcs-Baitz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . tessaric acid C15H20O3 相似度:53.3% Journal of Natural Products 2003 66 1078-1081 Eudesmane Derivatives and Other Sesquiterpenes from Laggera alata Qun Xiong Zheng,Zhao Jun Xu,Xian Feng Sun,Françoise Guéritte,Michele Cesario, Han Dong Sun,Christopher H. K. Cheng,Xiao-Jiang Hao,and Yu Zhao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 8β-hydroxyprespatane C15H24O 相似度:53.3% Journal of Natural Products 2007 70 1449-1453 Sesquiterpenoids and Artificial 19-Oxygenated Steroids from the Formosan Soft Coral Nephthea erecta Shi-Yie Cheng,Chang-Feng Dai, and Chang-Yih Duh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . (4R*,5R*,7S*,10R*)-4-formamidoeudesm-11-ene C16H27NO 相似度:53.3% Journal of Natural Products 2002 65 851-855 New Nitrogenous Eudesmane-Type Compounds Isolated from the Caribbean Sponge Axinyssa ambrosia Natalia V. Petrichtcheva,Carmenza Duque, Adriana Dueñas, Sven Zea, Noriyuki Hara,and Yoshinori Fujimoto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . oxyphyllol B C15H22O2 相似度:53.3% Journal of Natural Products 2002 65 1468-1474 Absolute Stereostructures of Three New Sesquiterpenes from the Fruit of Alpinia oxyphylla with Inhibitory Effects on Nitric Oxide Production and Degranulation in RBL-2H3 Cells1 Toshio Morikawa, Hisashi Matsuda, Iwao Toguchida, Kazuho Ueda, and Masayuki Yoshikawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . (8R)-8-hydroxypatchoulol C15H26O2 相似度:53.3% Journal of Natural Products 1999 62 437-440 Biotransformation of the Fungistatic Sesquiterpenoid Patchoulol by Botrytis cinerea Josefina Aleu, James R. Hanson, Rosario Hernández Galán, and Isidro G. Collado Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . compound 18 C15H26O 相似度:53.3% Journal of Natural Products 1998 61 22-28 Enantioselective Total Syntheses of (-)-7βH-Eudesmane-4α, 11-diol and (+)-ent-7βH-Eudesmane-4α, 11-diol Fumito Shimoma, Hisao Kondo, Saori Yuuya, Toshio Suzuki, Hisahiro Hagiwara, and Masayoshi Ando Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . chiloscypha-2,7,9-trione C15H18O3 相似度:53.3% Journal of Natural Products 1997 60 1281-1286 Bioactive and Other Sesquiterpenes from Chiloscyphus rivularis Chongming Wu, A. A. Leslie Gunatilaka, Francis L. McCabe, Randall K. Johnson, Richard W. Spjut, and David G. I. Kingston Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . eremophilanoid C15H20O3 相似度:53.3% Chinese Chemical Letters 2003 14 393-396 New Eudesmane and Eremophilane Derivatives from Laggera Alata Qun Xiong ZHENG, Zhao Jun XU, Xian Feng SUN, Françoise GUÉRITTE,Michele CESARIO, Christopher H.K. CHENG, Han Dong SUN, Yu ZHAO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . ent-kauran-16β-ol C20H34O 相似度:53.3% Journal of Asian Natural Products Research 2004 6 29-34 STRUCTURAL ELUCIDATION OF FRITILLAHUPEHIN FROM BULBS OF FRITILLARIA HUPEHENSIS HSIAO ET K.C. HSIA YONG-HUI ZHANG, HAN-LI RUAN, HUI-FANG PI, JI-ZHOU WU,HAN-DONG SUNb and TETSURO FUJITA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 3β,4α-dihydroxy-7-epi-eudesm-11(13)-ene C15H26O2 相似度:53.3% Phytochemistry 1998 49 2421-2424 Eudesmane derivatives from Laggera crispata and Pluchea carolonesis Ahmed A. Ahmed, Hesham R. El-Seedi, Ahmed A. Mahmoud, Abd El-Aziz A. El-Douski, Ibrahim F. Zeid, Lars Bohlin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 8α,11-dihydroxy-5-epi-eremophil-1(10)-en-2-one 相似度:53.3% Phytochemistry 1992 31 863-880 Sesquiterpene lactones and other constituents from Ursinia species J. Jakupovic, U. Ganzer, P. Pritschow, L. Lehmann, F. Bohlmann, R.M. King Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . (+)-nootkatone 相似度:53.3% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . (+)-(4R,5S,7R,11S)-11,12-epoksynootkatone 相似度:53.3% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . nootkatone 相似度:53.3% Phytochemistry 1987 26 571-572 A valencane sesquiterpenoid from Teucrium carolipaui Giuseppe Savona,Franco Piozzi,María C. De La Torre,Orietta Servettaz,Benjamín Rodríguez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . compound 2a 相似度:53.3% Phytochemistry 1987 26 1755-1757 Sesquiterpene lactols from Laserpitium halleri Giovanni Appendino,Maria Grazia Valle,Pierluigi Gariboldi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . (4R,5S,7R,10S)-eudesm-11-en-4-ol 相似度:53.3% Phytochemistry 1990 29 3207-3211 Eudesmane glycosides from Carthamus lanatus Arturo San Feliciano,Manuel Medarde,Benedicto Del Rey,Jose M. Miguel Del Corral,Alejandro F. Barrero Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . (-)-solavetivone C15H22O2 相似度:53.3% Chemical Communications 1977 27-28 Vetispirane sesquiterpene glucosides from flue-cured virginia tobacco: structure, absolute stereochemistry, and synthesis. X-Ray structure of the p-bromobenzenesulphonate of one of the derived aglycones Robert C. Anderson, Donald M. Gunn, Judith Murray-Rust, Peter Murray-Rust and James S. Roberts Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . oleodaphnone C15H18O2 相似度:53.3% Natural Product Research and Development 2009 21 733-736 Chemical Constituents from the Aerial Parts of Daphne bholua CHEN Hu-hai;ZHANG Wei-dong;SU Juan; CHEN Yu-qi; SHEN Yun-heng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . Halichonadin D C15H27N 相似度:53.3% Tetrahedron 2005 61 1101-1105 Halichonadins A–D, new sesquiterpenoids from a sponge Halichondria sp. Haruaki Ishiyama, Amane Hashimoto, Jane Fromont, Yasutaka Hoshino, Yuzuru Mikami, Jun'ichi Kobayashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . epi-rosulantol C15H24O2 相似度:53.3% Tetrahedron 1999 55 9117-9132 New acorane- and cuparane-type sesqui- and new labdane- and seco-labdanne-type diterpenoids from the Japanese liverwort Jungermannia infusca (Mitt.) Steph. Fumihiro Nagashima, Makoto Suzuki, Shigeru Takaoka, Yoshinori Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . acanthene C C16H27NO 相似度:53.3% Tetrahedron 1993 49 4503-4510 Acanthenes A to C: a chloro, isothiocyanate, formamide sesquiterpene triad isolated from the Northeastern Pacific marine sponge Acanthella sp. and the dorid nudibranch Cadlina luteomarginata David L. Burgoyne, Eric J. Dumdei, Raymond J. Andersen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . (1R*,3R*)-3-[4-(1,1-dimethylbutyl)phenyl]cyclohexanol C18H28O 相似度:53.3% Bioorganic & Medicinal Chemistry 2008 16 322-335 Synthesis and pharmacology of 1-deoxy analogs of CP-47,497 and CP-55,940 John W. Huffman, Alicia L.S. Thompson, Jenny L. Wiley, Billy R. Martin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (6S*,7S*)-3-norhimachal-1-en-3-one 相似度:53.3% Natural Product Communications 2008 3 1755-1758 21,28-Epoxy-18β,21β-dihydroxbaccharan-3-one and OtherTerpenoids from the Liverwort Lepidozia chordulifera T. Taylor Hildegard Zapp, Kerstin Orth, Josef Zapp, Joseph D. Connolly, and Hans Becker Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . Androst-4-ene-3,6-dione 相似度:52.6% Steroids 2006 71 30-33 An efficient one-pot synthesis generating 4-ene-3,6-dione functionalised steroids from steroidal 5-en-3β-ols using a modified Jones oxidation methodology A. Christy Hunter, Shelley-Marie Priest Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 2-oxoclerod-3-en-15-oic acid 相似度:50% Helvetica Chimica Acta 2003 Vol. 86 3187 Dinorditerpene, Diterpenes, Alkaloids, and Coumarins from Clausena dunniana Hong-Ping He, Yue-Mao Shen, Guo-Ying Zuo, Xiao-Sheng Yang, and Xiao-Jiang Hao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . methyl 3-oxoartemisinate structure C16H22O3 相似度:50% Planta Medica 1996 62 359-360 Production of Methyl 3-Oxoartemisinate from Methyl Artemisinate by Suspension Cell Culture of Mentha piperita Soo-Un Kim and Hyung-Jin Kwon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . compound 24a 相似度:50% Organic & Biomolecular Chemistry 2011 9 2156-2165 Substrate specificity of Rv3378c, an enzyme from Mycobacterium tuberculosis, and the inhibitory activity of the bicyclic diterpenoids against macrophage phagocytosis Tsutomu Hoshino, Chiaki Nakano, Takahiro Ootsuka, Yosuke Shinohara and Takashi Hara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . compound 24b 相似度:50% Organic & Biomolecular Chemistry 2011 9 2156-2165 Substrate specificity of Rv3378c, an enzyme from Mycobacterium tuberculosis, and the inhibitory activity of the bicyclic diterpenoids against macrophage phagocytosis Tsutomu Hoshino, Chiaki Nakano, Takahiro Ootsuka, Yosuke Shinohara and Takashi Hara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . compound 26a+b 相似度:50% Organic & Biomolecular Chemistry 2011 9 2156-2165 Substrate specificity of Rv3378c, an enzyme from Mycobacterium tuberculosis, and the inhibitory activity of the bicyclic diterpenoids against macrophage phagocytosis Tsutomu Hoshino, Chiaki Nakano, Takahiro Ootsuka, Yosuke Shinohara and Takashi Hara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . Tricalysione A C18H26O3 相似度:50% Tetrahedron 2007 63 4558-4562 Three new diterpenoids, tricalysiolide H and tricalysiones A and B, from Tricalysia dubia Koichi Nishimura, Yukio Hitotsuyanagi, Kei-ichi Sakakura, Kazuya Fujita, Shigeki Tachihara, Haruhiko Fukaya, Yutaka Aoyagi, Tomoyo Hasuda, Takeshi Kinoshita, Koichi Takeya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . Halichonadin A C31H52N2O 相似度:50% Tetrahedron 2005 61 1101-1105 Halichonadins A–D, new sesquiterpenoids from a sponge Halichondria sp. Haruaki Ishiyama, Amane Hashimoto, Jane Fromont, Yasutaka Hoshino, Yuzuru Mikami, Jun'ichi Kobayashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . 4-phenyl-N-propyl-2-(propylamino)cyclopent-1-enecarboxamide C18H26N2O 相似度:50% Tetrahedron 2012 68 2496-2508 Efficient one-pot synthesis of cyclic β-enaminoamides by thermal Wolff rearrangement of cyclic 2-diazo-1,3-dicarbonyls and conversion to uracil derivatives Pratik Neupane, Xin Li, Jae Hak Jung, Yong Rok Lee, Sung Hong Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . (1R,3E,7E,11S,12S)-3,7,18-Dolabellatriene C20H32 相似度:50% Journal of Natural Products 2011 74 213-222 Dolabellanes with Antibacterial Activity from the Brown Alga Dilophus spiralis Efstathia Ioannou, Antonio Quesada, M. Mukhlesur Rahman, Simon Gibbons, Constantinos Vagias, and Vassilios Roussis Structure 13C NMR 碳谱模拟图 |
2楼2012-06-16 12:01:39
