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545754995铁杆木虫 (正式写手)
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[求助]
急求微谱数据解析化合物的结构
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化合物的碳谱数据如下，是用氘代氯仿溶的： 16.20, 18.21,18.41, 19.61, 23.63,25.44,27.81,28.94,29.69,30.35, 32.07, 32.39,33.11, 34.52,34.60,35.07,36.01,38.95, 43.06,47.43, 49.69,76.34,122.08, 麻烦各位了，真的万分感谢！ |
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wq0616
铁杆木虫 (正式写手)
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【答案】应助回帖
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感谢参与，应助指数 +1
545754995: 金币+20, ★★★★★最佳答案, 感谢，还得麻烦啊。 2013-02-28 10:51:34
PSA: 金币+1, 辛苦 2013-02-28 11:29:16
感谢参与，应助指数 +1
545754995: 金币+20, ★★★★★最佳答案, 感谢，还得麻烦啊。 2013-02-28 10:51:34
PSA: 金币+1, 辛苦 2013-02-28 11:29:16
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1 . Glut-5(6)-en-3-ol 相似度:78.5% Phytochemistry 1995 38 951-955 A benzoic acid ester from Uvaria narum Virinder S. Parmar, Kirpal S. Bisht, Abha Malhotra, Amitabh Jha, William Errington, Oliver W. Howarth, Om D. Tyagi, Paul C. Stein, Soren Jensen, Per M. Boll, Carl E. Olsen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 5(6)-gluten-3-one C30H48O 相似度:75% Natural Product Research 2006 20 145-151 A new coumarin and triterpenes from Malaysian Micromelum minutum Ratna Asmah Susidarti; Mawardi Rahmani; Hazar B. M. Ismail; M. Aspollah Sukari; Taufiq-Yap Yun Hin; Gwendoline Ee Cheng Lian; Abdul Manaf Ali; Julius Kulip; Peter G. Waterman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . compound 相似度:70.8% Tetrahedron 2012 68 4995-5004 Synthetic routes to campesterol and dihydrobrassicasterol: a first reported synthesis of the key phytosterol dihydrobrassicasterol N.M. O'Connell, Y.C. O'Callaghan, N.M. O'Brien, A.R. Maguire, F.O. McCarthy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 12-Thiα-3α,7α-dihydroxy-5β-cholan-24-ol C23H40O3S 相似度:69.5% Steroids 2011 76 324-330 Synthesis of 12-oxa, 12-aza and 12-thia cholanetriols Malika Ibrahim-Ouali, Khalil Hamze, Luc Rocheblave Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . cis-3,4,4a,5,6,7,8,8a-Octahydro-2,5,5,8a-tetramethylnaphthalene-1(2H)-one 相似度:67.8% Journal of Natural Products 2004 67 1996-2001 Correction of the Structure of a New Sesquiterpene from Cistus creticus ssp. creticus Konstantinos Hatzellis, Georgia Pagona, Apostolos Spyros,Costas Demetzos,and Haralambos E. Katerinopoulos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . (24R)-[26-2H3]-24-methylcholest-5-en-3β-ol 8/[26-2H3]-campesterin 相似度:66.6% Chemistry of Natural Compounds 2012 48 606-609 Synthesis of [26-2H3]-campesterin and [26-2H3]-campestanol, deuterated analogs of biosynthetic precursors of 28C-brassinosteroids V. A. Khripach, V. N. Zhabinskii, Yu. V. Ermolovich and O. V. Gulyakevich Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . oleanolic acid 相似度:65.3% Chinese Traditional and Herbal Drugs 2012 43 23-26 Chemical constituents of Phyllanthus amaus SUN Wei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . sarconidine C24H40N2 相似度:65.2% Phytochemistry 1997 45 861-864 Steroidal alkaloids from Sarcococca saligna Atta-ur-Rahman, M. Riaz Khan, M. Iqbal Choudhary, M. Zafar Iqbal Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 3-Pentafluoroethyl-17β-[(t-butyldimethylsilyl)oxylandrosta-3,5-diene C27H41OF5Si 相似度:65.2% Steroids 1996 61 50-57 The syntheses of 3-substituted perfluoroalkyl steroids John R. Williams, Timothy J. Shea Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 17α-hydroxyprogesterone C21H30O4 相似度:65.2% Steroids 1993 58 278-281 Two novel microbial conversion products of progesterone derivatives Dirk Kirschenowski, Klaus Kieslich Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 1β,6β-dihydroxyvoucapane;19β-methyl ester C21H18O5 相似度:65.2% Fitoterapia 2012 83 74-80 Antinociceptive and antiplasmodial activities of cassane furanoditerpenes from Caesalpinia volkensii H. root bark Charles O. Ochieng’, P. Okinda Owuor, Lawrence A.O. Mang'uro, Hosea Akala, Ismail O. Ishola Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 3α,3β-(2-oxo-1,3-propanediyloxy)-17α-pregnane 21,17β-carbolactone C25H36O4 相似度:65.2% Journal of Medicinal Chemistry 1995 38 4518-4528 Steroidal Spiro-.gamma.-lactones That Inhibit 17.beta.-Hydroxysteroid Dehydrogenase Activity in Human Placental Microsomes Kay Mane Sam, Serge Auger, Van Luu-The, Donald Poirier Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 17α-hydroxypregna-4-ene-3,20-dione 相似度:65.2% Organic Magnetic Resonance 1984 22 586-591 A carbon-13 nuclear magnetic resonance study of the 1,4-diene analogues of steroid hormones and related steroids Mario D. Gonzalez and Gerardo Burton Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . friedelin C30H50O 相似度:65.2% Journal of Wenzhou Medical College 2002 32 24-25 A study on chemical constituentes of humata tyermanni moore YE Xiao-qin; YANG Xiao-feng; HUANG Ke-xin; et al Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 28,29-bis-borcycloarten-3β,4r,6r-triol C29H48O3 相似度:64.2% Journal of Natural Products 1998 61 1482-1490 Bisamides, Lignans, Triterpenes, and Insecticidal Cyclopentabenzofurans from Aglaia Species1 G. Brader, S. Vajrodaya, H. Greger, M. Bacher, H. Kalchhauser, and O. Hofer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . Campest-5-en-3-one C28H47O 相似度:64.2% Steroids 2000 65 443-449 Synthesis of 6-oxy functionalized campest-4-en-3-ones: efficient hydroperoxidation at C-6 of campest-5-en-3-one with molecular oxygen and silica gel Hideharu Seto, Shozo Fujioka, Suguru Takatsuto, Hiroyuki Koshino, Takeshi Shimizu, Shigeo Yoshida Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 6β-Methoxy-3α,5-cycloergostane 相似度:64.2% Tetrahedron 2012 68 4995-5004 Synthetic routes to campesterol and dihydrobrassicasterol: a first reported synthesis of the key phytosterol dihydrobrassicasterol N.M. O'Connell, Y.C. O'Callaghan, N.M. O'Brien, A.R. Maguire, F.O. McCarthy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . (24S)-6β-Methoxy-3α,5-cycloergostane 相似度:64.2% Tetrahedron 2012 68 4995-5004 Synthetic routes to campesterol and dihydrobrassicasterol: a first reported synthesis of the key phytosterol dihydrobrassicasterol N.M. O'Connell, Y.C. O'Callaghan, N.M. O'Brien, A.R. Maguire, F.O. McCarthy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . (Z)-3β-Hydroxy-22-(N-R)-pregn-5,16-diene(g) C27H43NO2 相似度:64% Chemical Research in Chinese Universities 2010 26 922-928 Synthesis and Antileishmanial Activities of Some New Azasterols CHEN Shao-rui, LIU Dong-zhi, WU Xue-dan, LI Wei and ZHOU Xue-qin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 19-pentyloxyent-pimar-15-en-9α-ol C25H42O3 相似度:64% Phytochemistry 1990 29 2943-2946 Diterpenes from Calceolaria lepida María C. Chamy,Marisa Piovano,Juan A. Garbarino,Cecilia Miranda,Vicente Gambaro Structure 13C NMR 碳谱模拟图 |
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