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杨大松至尊木虫 (文坛精英)
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[求助]
求助微谱数据，谢谢
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碳谱数据如下： 15.1,16.7,16.8,23.3,25.5,27.8,30.4,32.1,36.5,37.5,40.5,41.3,45.4,46.8,54.6,79.7,143.8,178.6 辛苦各位了，谢谢。 |
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杨大松
至尊木虫 (文坛精英)
- 应助: 243 (大学生)
- 金币: 23878.3
- 散金: 3
- 红花: 46
- 帖子: 10466
- 在线: 831.8小时
- 虫号: 1190374
- 注册: 2011-01-15
- 专业: 化学生物学与生物有机化学
4楼2012-06-29 14:30:26
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
杨大松: 金币+10, ★★★★★最佳答案 2012-06-29 14:25:27
中药2000: 金币+2, 谢谢 2012-06-29 22:09:27
感谢参与，应助指数 +1
杨大松: 金币+10, ★★★★★最佳答案 2012-06-29 14:25:27
中药2000: 金币+2, 谢谢 2012-06-29 22:09:27
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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 15.1,16.7,16.8,23.3,25.5,27.8,30.4,32.1,36.5,37.5,40.5,41.3,45.4,46.8,54.6,79.7,143.8,178.6 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871个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . vitedoin B C19H30O4 相似度:66.6% Journal of Natural Products 2004 67 2073-2075 Lignan Derivatives and a Norditerpene from the Seeds of Vitex negundo Masateru Ono, Yoichiro Nishida, Chikako Masuoka, Jian-Chen Li, Masafumi Okawa, Tsuyoshi Ikeda, and Toshihiro Nohara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . serratezomine E C18H32N2O 相似度:66.6% Bioorganic & Medicinal Chemistry Letters 2009 19 3577-3580 Serratezomines D and E, new Lycopodium alkaloids from Lycopodium serratum var. serratum Takaaki Kubota, Hiroko Yahata, Sunao Yamamoto, Shigeki Hayashi, Toshiro Shibata, Jun’ichi Kobayashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . negundoal C21H32O4 相似度:66.6% Fitoterapia 2012 83 49-54 Sesquiterpenoids and norterpenoids from Vitex negundo Cheng-Jian Zheng, Jiang Pu, Hong Zhang, Ting Han, Khalid Rahman, Lu-Ping Qin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . epi-populifolic acid C20H34O2 相似度:65% Journal of Natural Products 2003 66 316-319 cis-Clerodane Type Diterpenes from Cistus monspeliensis1 Eleftherios Kalpoutzakis, Nektarios Aligiannis, Alexios-Leandros Skaltsounis, and Sofia Mitakou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . epi-populifolic acid 相似度:65% Phytochemistry 1992 31 3277-3279 Epi-populifolic acid from Aristolochia cymbifera Gilda G. Leitào, Maria Auxiliadora C. Kaplan, Corrado Galeffi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . labd-7-en-15,18-dioic acid-18α-methylester 相似度:61.9% Natural Product Research 2002 16 223-228 Labdane Diterpenes from Haplopappus Illinitus Francesca Faini; Cecilia Labbé; René Torres; Giuliano Delle Monache; Franco Delle Monache Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . stemaphylline C17H29NO2 相似度:61.1% Journal of Natural Products 2009 72 848-851 Alkaloids from the Roots of Stemona aphylla Pitchaya Mungkornasawakul, Sukanda Chaiyong, Thanapat Sastraruji, Araya Jatisatienr, Chaiwat Jatisatienr,Stephen G. Pyne, Alison T. Ung, John Korth,and Wilford Lie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . (1R,10R)-9β-hydroxyaromadendrane C15H26O 相似度:61.1% Phytochemistry 2002 60 475-481 Aromadendrane transformations by Curvularia lunata ATCC 12017 Dwight O. Collins, William F. Reynolds, Paul B. Reese Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . alkaloids 2-oxostenine 相似度:61.1% Helvetica Chimica Acta 2009 92 2125-2133 Alkaloids from the Roots of Stemona tuberosa Jun-Ping Hu, Dong-Hui Yang, Wen-Han Lin, Shao-Qing Cai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . serratezomine E C18H32N2O 相似度:61.1% Bioorganic & Medicinal Chemistry Letters 2009 19 3577-3580 Serratezomines D and E, new Lycopodium alkaloids from Lycopodium serratum var. serratum Takaaki Kubota, Hiroko Yahata, Sunao Yamamoto, Shigeki Hayashi, Toshiro Shibata, Jun’ichi Kobayashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . (5S,6S,7S,10R)-7-isopropyl-2,10-dimethyl-6-tri-methylsilyloxyspiro[4.5]dec-1-ene C18H34OSi 相似度:61.1% Tetrahedron 2005 61 10853-10860 Silicon guided rearrangement of epoxydecalines to spirocyclic compounds. Synthesis of gleenol and axenol from carvone Gonzalo Blay, Ana M. Collado, Begoña García, José R. Pedro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 9β,13β-endoperoxide-abieta-8 (14)-en-18-oic acid C20H30O4 相似度:60% Acta Botanica Sinica 2004 45 1002-1008 Terpenoids and Phenols from Taiwania flousiana XIANG Ying, YANG Sheng-Ping, ZHAN Zha-Jun, YUE Jian-Min Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 1β,12:15,16-Diepoxy-cis-ent-cleroda-13(16),14-dien-18α,6α-olide C20H26O4 相似度:60% Phytochemistry 2004 65 127-137 ent-Clerodane diterpenes and other constituents from the liverwort Adelanthus lindenbergianus (Lehm.) Mitt. Barbara Blä s, Josef Zapp, Hans Becker Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 18-hydroxy-cisclerodan-3-ene-15-oic acid C20H34O3 相似度:60% Journal of Natural Products 2003 66 316-319 cis-Clerodane Type Diterpenes from Cistus monspeliensis1 Eleftherios Kalpoutzakis, Nektarios Aligiannis, Alexios-Leandros Skaltsounis, and Sofia Mitakou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . portulene C20H34O4 相似度:60% Journal of Asian Natural Products Research 2008 10 1039-1043 Portulene, a new diterpene from Portulaca oleracea L. Ehab S. Elkhayat, Sabrin R.M. Ibrahim and Mohamed A. Aziz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 3,12-dioxo-15,16-epoxy-4-hydroxy-cleroda-13(16),14-diene 相似度:60% Phytochemistry 1996 41 561-563 Clerodane diterpenes and other constituents of Croton hovarum Hans C. Krebs, Harisolo Ramiarantsoa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . suavioside B methyl ester C21H32O4 相似度:60% Phytochemistry 1992 31 1553-1559 Minor diterpene glycosides from sweet leaves of Rubus suavissimus Kazuhiro Ohtani, Yoko Aikawa, Ryoji Kasai, Wen-Hua Chou, Kazuo Yamasaki, Osamu Tanaka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . compound 5 相似度:60% Phytochemistry 1992 31 3159-3161 Abietanoid acid from Lepechinia caulescens llermo Delgado, Enrique Sánchez, Julio Hernández, María Isabel Chávez, Laura Alvarez, Esteban Martínez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . leucasdin B C20H30O6 相似度:60% Chemical & Pharmaceutical Bulletin 2006 54 1370-1379 Studies on Nepalese Crude Drugs. XXIX. Chemical Constituents of Dronapuspi, the Whole Herb of Leucas cephalotes SPRENG. Yukinori Miyaichi, Akiko Segawa and Tsuyoshi Tomimori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 3,12-dioxo-15,16-epoxy-4-hydroxycleroda-13(16),14-diene 相似度:60% Phytochemistry 1988 27 3209-3212 New diterpenoids from Croton argyrophylloides Francisco J. Q. Monte,Edna M. G. Dantas,Raimundo Braz F. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . diethyl 7-dodecyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-ylphosphonate C24H42NO5P 相似度:60% Heterocycles 2010 82 417-429 Isomerization of Diethyl 1-Alkynylphosphonates to 1,3-Dienylphosphonates Followed by Diels-Alder Reaction with Dead, Maleic Anhydride and Maleimide Abdullatif Azab, Abed Al Aziz Quntar, Tamar Antebi, and Morris Srebnik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . compound 10b 相似度:60% Phytochemistry 1984 23 1194-1196 The structure of sagittariol Shekhar C. Sharma, J.S. Tandon, Barry Porter, Muppala S. Raju, Ernest Wenkert Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 17α-methyl-5β-dihydrotestosterone 相似度:60% Steroids 1983 41 493-500 Metabolism of 17α-methyl-5β-dihydrotestosterone in the rabbit John F. Templeton, Chung-Ja Choi Jackson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 17α-methyl-5α-androstane-3β,6α,-17β-triol 相似度:60% Steroids 1983 42 115-121 Metabolism of 17α-methyltestosterone in the rabbit: C-6 and C-16 hydroxylated metabolites John F. Templeton, Chung-Ja Choi Jackson Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . ent-16α,17-dihydroxy-kauran-19-oic acid 相似度:60% Journal of China Pharmaceutical University 1989 20 203-207 Diterpenes From Pseuduvaria Indochinensis Xie Ning; Zhong Shouming; Zhao Shouxun; Peter G. Waterman; He Cunheng and Zheng Qitai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 1S-hydroperoxy-12S-hydroxy-bromosphaerol-B 相似度:60% Tetrahedron 2008 64 5184-5190 Cytotoxic bromoditerpenes from the red alga Sphaerococcus coronopifolius Vangelis Smyrniotopoulos, Antonio Quesada, Constantinos Vagias, Dimitri Moreau, Christos Roussakis, Vassilios Roussis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . 3,12-Dioxo-15,16-epoxy-4-hydroxycleroda-13(16),14-diene 相似度:60% Natural Product Communications 2006 1 319-336 Clerodane Diterpenes from Croton Species: Distribution anda Compilation of their 13C NMR Spectral Data Sebastião F. Palmeira Júnior, Lucia M. Conserva and José Maria Barbosa Filho Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 3β-hydroxy-12-en-ursolic acid 相似度:59.0% Acta Bot. Boreal. -Occident. Sin. 2005 25 1234-1237 Lipid-soluble Chemical Constituents in Sonchus oleraceus HU Pei-zhuo, ZOU Chuan-zong, ZHU Ying Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . (+)-16-Acetylkaurane-16,17-diol C22H36O3 相似度:59.0% Phytochemistry 1994 35 1279-1284 Abietanes and kauranes from leaves of Cryptomeria japonica Wen-Chiung Su, Jim-Min Fang, Yu-Shia Cheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . Ent-dihydrotucumanoic acid C20H36O5 相似度:57.8% Phytochemistry 1994 35 1505-1507 Ent-neoclerodane diterpenes from Gymnosperma glutinosum Roberto Martínez, José S. Calderón, Rubén A. Toscano, Lucía Valle-Aguilera, Héctor M. Mendoza-Candelaria Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . Compound 10 相似度:57.8% Magnetic Resonance in Chmesitry 2005 43 676-678 1H and 13C NMR spectral assignment of androstane derivatives Ariadna Fuente, Mayra Reyes, Yoanna M. Alvarez, José A. Ruiz, Hermán Vélez, Omar Viñas-Bravo, Sara Montiel-Smith, Socorro Meza-Reyes and Jesús Sandoval-Ramírez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . compound 16 相似度:57.8% Organic Magnetic Resonance 1984 22 736-738 Carbon-13 nuclear magnetic resonance spectra of some heterocyclic D-homoandrostanes Deanna Marcano, Jeannette De Méndez, Ana C. Ortiz and Mirna Salinas Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . compound 18 相似度:57.8% Organic Magnetic Resonance 1984 22 736-738 Carbon-13 nuclear magnetic resonance spectra of some heterocyclic D-homoandrostanes Deanna Marcano, Jeannette De Méndez, Ana C. Ortiz and Mirna Salinas Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 5α-Androstane C19H32 相似度:57.8% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . 5α-Androstan-1-one C19H30O 相似度:57.8% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . 5α-Androstan-2β-ol C19H32O 相似度:57.8% Organic Magnetic Resonance 1977 9 439-464 13C n.m.r. spectra of steroids —a survey and commentary J. W. Blunt and J. B. Stothers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . viteagnusin A C22H36O3 相似度:57.1% Chemical & Pharmaceutical Bulletin 2008 56(11) 1621-1624 Five New Diterpenoids, Viteagnusins A—E, from the Fruit of Vitex agnus-castus Masateru ONO,Toru YAMASAKI,Masatarou KONOSHITA,Tsuyoshi IKEDA,Masafumi OKAWA,Junei KINJO,Hitoshi YOSHIMITSU,and Toshihiro NOHARA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 3-Methoxy-2'-oxopyrrolidino-[4',5':14β,15β]-estra-1,3,5(10)-trien-17β-ol C21H27NO3 相似度:57.1% Steroids 2008 73 585-593 Synthesis and molecular structure of 14,15-pyrrolidino-and 14,16-ethano derivatives of estrone Alexander V. Baranovsky, Dmitry A. Bolibrukh, James R. Bull, Alexander S. Lyakhov, Vladimir A. Khripach Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . labd-en-15,18-dioic acid-15-methylester 相似度:57.1% Natural Product Research 2002 16 223-228 Labdane Diterpenes from Haplopappus Illinitus Francesca Faini; Cecilia Labbé; René Torres; Giuliano Delle Monache; Franco Delle Monache Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . (5R,8R,9S,10R)-ent-3-cleroden-15-oic acid methyl ester C21H36O2 相似度:57.1% Phytochemistry 1992 31 3277-3279 Epi-populifolic acid from Aristolochia cymbifera Gilda G. Leitào, Maria Auxiliadora C. Kaplan, Corrado Galeffi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . methyl 9,13β-epidioxy-8(14)-abieten-18-oate 相似度:57.1% Phytochemistry 1991 30 593-597 Endoperoxide diterpenoids and other constituents from Abies marocana Alejandro F. Barrero, Juan F. Sanchez, E. J. Alvarez-Manzaneda, R. M. Muñoz Dorado, Ali Haidour Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . methyl 9,13α-epidioxy-8(14)-abieten-18-oate 相似度:57.1% Phytochemistry 1991 30 593-597 Endoperoxide diterpenoids and other constituents from Abies marocana Alejandro F. Barrero, Juan F. Sanchez, E. J. Alvarez-Manzaneda, R. M. Muñoz Dorado, Ali Haidour Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . 17β-Acetylamino-15β-hydroxy-5α-androstan-3-one 相似度:57.1% Steroids 1998 63 484-495 Microbial hydroxylation of acetylaminosteroids HerbertL Holland, Gingipalli Lakshmaiah, PeterL Ruddock Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . negundoin B C21H32O5 相似度:57.1% Bioorganic & Medicinal Chemistry 2010 18 175-181 Anti-inflammatory diterpenes from the seeds of Vitex negundo Cheng-Jian Zheng, Bao-Kang Huang, Yang Wang, Qi Ye, Ting Han, Qiao-Yan Zhang, Hong Zhang, Lu-Ping Qin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . negundoin C C21H32O4 相似度:57.1% Bioorganic & Medicinal Chemistry 2010 18 175-181 Anti-inflammatory diterpenes from the seeds of Vitex negundo Cheng-Jian Zheng, Bao-Kang Huang, Yang Wang, Qi Ye, Ting Han, Qiao-Yan Zhang, Hong Zhang, Lu-Ping Qin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . (3aR,3bS,4R,5aS,6aR,7S,9aS)-Octahydro-4-hydroxy-1,3b,7-trimethyl-4H-oxireno[1,8a]azuleno[4,5- b]furan-2(1H)-one C15H22O4 相似度:55.5% Helvetica Chimica Acta 2008 Vol. 91 1137 Two New Pseudoguaianolides from the Flowers of Parthenium hysterophorus Biswanath Das, Kongara Ravinder Reddy, Bommena Ravikanth, Akella Venkata Subrahmanya Sarma, and Balasubramanian Sridhar Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . (12RS)-(8E,10E)-12-hydroxy-7-oxo-8,10-octadecadienoic acid C18H30O4 相似度:55.5% Chemical & Pharmaceutical Bulletin 2006 54(8) 1213-1215 Conjugated Ketonic Fatty Acids from Pleurocybella porrigens Yoshiaki AMAKURA,Kazunari KONDO,Hiroshi AKIYAMA,Hideyuki ITO,Tsutomu HATANO,Takashi YOSHIDA,and Tamio MAITANI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . aromadendr-1(10)-en-9-one 相似度:55.5% Phytochemistry 2002 59 479-488 Microbial transformation of cadina-4,10(15)-dien-3-one,aromadendr-1(10)-en-9-one and methyl ursolate by Mucor plumbeus ATCC 4740 Dwight O. Collins, Peter L.D. Ruddock, Jessica Chiverton de Grasse,William F. Reynolds, Paul B. Reese Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . squamulosone 相似度:55.5% Phytochemistry 2002 60 475-481 Aromadendrane transformations by Curvularia lunata ATCC 12017 Dwight O. Collins, William F. Reynolds, Paul B. Reese Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . Eudesm-4(15)-en-7-ol 相似度:55.5% Phytochemistry 2001 58 789-798 Sesquiterpenoid constituents of the liverworts Lepidozia fauriana and Lepidozia vitrea Claudia Paul, Wilfried A. König, Chia-Li Wu Structure 13C NMR 碳谱模拟图 |
3楼2012-06-29 14:16:20
杨大松
至尊木虫 (文坛精英)
- 应助: 243 (大学生)
- 金币: 23878.3
- 散金: 3
- 红花: 46
- 帖子: 10466
- 在线: 831.8小时
- 虫号: 1190374
- 注册: 2011-01-15
- 专业: 化学生物学与生物有机化学
5楼2012-06-29 15:59:05
6楼2012-06-29 16:17:17
