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[求助]
求助微谱数据库，化合物解析
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| G24：12.1,12.5,19.1,19.4,21.3,30.2,32.0,32.2,36.4,36.9,39.3,42.3,50.3,62.8,71.7,75.3,78.1,78.4,78.6,102.6,121.9,140.9 |
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火箭穿屁屁
木虫 (正式写手)
地球球长
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
豆哥: 金币+4, 谢谢 2012-09-05 08:14:05
白晓意: 金币+10, ★★★很有帮助 2012-09-06 17:00:41
感谢参与，应助指数 +1
豆哥: 金币+4, 谢谢 2012-09-05 08:14:05
白晓意: 金币+10, ★★★很有帮助 2012-09-06 17:00:41
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查询结果：共查到977个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . β1-chaconine C39H63NO10 相似度:73.9% Phytochemistry 1982 21 187-192 Basic steroid saponins from aerial parts of Fritillaria Thunbergii Junichi Kitajima, Tetsuya Komori, Toshio Kawasaki, Hans-rolf Schulten Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 7 C40H67NO11 相似度:73.9% Phytochemistry 1982 21 187-192 Basic steroid saponins from aerial parts of Fritillaria Thunbergii Junichi Kitajima, Tetsuya Komori, Toshio Kawasaki, Hans-rolf Schulten Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 3β,20ξ-dihydroxy-14α-card-5-enolide 相似度:72.7% Steroids 1982 39 181-190 Acyl migration in the Reformatsky reaction of 21-acyloxy-5-pregnen-20-one derivatives with ethyl bromoacetate Alicia M. Seldes, Eduardo G. Gros Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . Pregnenolone 相似度:68.1% Steroids 1995 60 442-446 Complete 1H and 13C NMR spectra of pregnenolone Zsuzsa Szendi, Peter Forgó, Frederick Sweet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . pregn-5-ene-3β,16β,20(R)-trio1 3-O-β-D-glucopyranoside C27H44O8 相似度:66.6% Phytochemistry 1995 40 1773-1775 Pregnane glycosides from fruits of Balanites aegyptiaca M. S. Kamel, A. Koskinen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . (20R)-O-(3)-α-L-arabinopyranosyl-pregn-5-en-3β,20-diol C21H34O2 相似度:65.3% Phytochemistry 1995 38 699-701 (20R)-O-(3)-α-L-arabinopyranosyl-pregn-5-en-3β, 20-diol from Brucea javanica Christine Kamperdick, Tran Van Sung, Trinh Thi Thuy, Mai Van Tri, Günter Adam Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . (20R)-O-(3)-α-L-arabinopyranosyl-pregn-5-ene-3,20-diol C26H42O6 相似度:65.3% Archives of Pharmacal Research 2009 32 661-666 A new triterpenoid from Brucea javanica Jian Hua Liu, Jiang Jiang Qin, Hui Zi Jin, Xiao Jia Hu and Ming Chen, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3β-Hydroxy-24-norchol-5-en-23-oic acid 相似度:65.2% Steroids 2005 70 873-878 Isolation and absolute configuration of new bioactive marine steroids from Euryspongia n. sp. Anne Mandeau, Cecile Debitus, Marie-Françoise Ariès, Bruno David Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . (22R,22S)-cholest-5-ene-3β,22,24-triol 相似度:64% Russian Journal of Organic Chemistry 2002 38 355-360 Modification of A and B Rings in 20-Dihydroisoxazolyl Steroids and Their Derivatives with a Functionalized Side Chain R. P. Litvinovskaya, N. V. Koval' and V. A. Khripach Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . Pregnenolone C21H32O2 相似度:63.6% Acta Botanica Yunnanica 1997 19(1) 92-96 STUDY ON CHEMICAL CONSTITUENTS OF SAUSSUREA LAPPA Ⅱ Yang Hui, Xie J inlun, Sun Handong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . pregnenolone 相似度:63.6% Chemistry of Natural Compounds 1984 20 177-182 CATALYTIC REARRANGEMENT OF α-D-GLUCOSE 1,2-ORTHOACETATE DERIVATIVES OF PREGNENOLONE AND 16-DEHYDROPREGNENOLONE N. F. Samoshina, V. A. Denisenko, V. L. Novikov, and N. I. Uvarova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . dipregnenolone-yl ether 相似度:63.6% Chemistry of Natural Compounds 1984 20 177-182 CATALYTIC REARRANGEMENT OF α-D-GLUCOSE 1,2-ORTHOACETATE DERIVATIVES OF PREGNENOLONE AND 16-DEHYDROPREGNENOLONE N. F. Samoshina, V. A. Denisenko, V. L. Novikov, and N. I. Uvarova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 1'-Methyl-5'-methylthio-pyrazolo[4',3':16,17]androst-5-en-3β-ol C22H32N2OS 相似度:63.6% Molecules 2003 8 444-452 Synthesis of New Pyrazole and Pyrimidine Steroidal Derivatives Daniel G. Rivera, Klaus Peseke, Isabel Jomarrón, Alina Montero, Reinaldo Molina and Francisco Coll Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 3β-Hydroxy-androst-5-eno[17,16-c]-[1'H]-5'-methylthiopyrazole 相似度:63.6% Steroids 2002 67 203-209 Synthesis of some A- and D-ring fused steroidal pyrazoles, isoxazoles and pyrimidines Warjeet S. Laitonjam, Tombisana S. Rajkumar, Brajakishor S. Chingakham Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 3β-Hydroxy[19-2H3]pregn-5-en-20-one C21H29H3O2 相似度:63.6% Steroids 2004 69 161-171 Synthesis of [19-2H3]-analogs of dehydroepiandrosterone and pregnenolone and their sulfates Ivan Černý, Vladimír Pouzar, Miloš Budĕšínský, Marie Biĕíková, Martin Hill, Richard Hampl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 3β-Hydroxy[19-2H2]pregn-5-en-20-one 相似度:63.6% Steroids 2004 69 161-171 Synthesis of [19-2H3]-analogs of dehydroepiandrosterone and pregnenolone and their sulfates Ivan Černý, Vladimír Pouzar, Miloš Budĕšínský, Marie Biĕíková, Martin Hill, Richard Hampl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . compound 相似度:63.6% Steroids 2004 69 161-171 Synthesis of [19-2H3]-analogs of dehydroepiandrosterone and pregnenolone and their sulfates Ivan Černý, Vladimír Pouzar, Miloš Budĕšínský, Marie Biĕíková, Martin Hill, Richard Hampl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 24-Norchol-5-en-3β,23-diol C23H38O2 相似度:63.6% Steroids 2005 70 551-562 Preparation of (25R)- and (25S)-26-functionalized steroids as tools for biosynthetic studies of cholic acids Vladimir A. Khripach, Vladimir N. Zhabinskii, Olga V. Konstantinova, Natalya B. Khripach, Alexey V. Antonchick, Andrey P. Antonchick, Bernd Schneider Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 3β-Chloro-androst-5-en-17-one C19H27ClO 相似度:63.6% Steroids 2005 70 825-830 Chlorination of 3β-hydroxyl-5-Δ steroids with anhydrous ferric chloride Feng-Wu Liu, Hong-Min Liu, Yan-Bing Zhang, Jing-Yu Zhang, Li-Huan Tian Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . pregnenolone C21H32O2 相似度:63.6% Journal of Asian Natural Products Research 2002 4 33-41 CONSTITUENTS FROM THE ROOTS OF HERACLEUM RAPULA FRANCH XUE-MEI NIU, SHENG-HONG LI, BEI JIANG, QIN-SHI ZHAO and HAN-DONG SUN Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . pergnenolone 相似度:63.6% Natural Product Research 2006 20 860-865 A new dihydroisocoumarin from the rhizomes of Notopterygium forbesii Yan-Hui Li; Fan Luo; Shu-Lin Peng; Jian Liang; Li-Sheng Ding Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . balagyptin aglycone 相似度:63.6% Phytochemistry 1995 40 1773-1775 Pregnane glycosides from fruits of Balanites aegyptiaca M. S. Kamel, A. Koskinen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . △5-pregnene-3β,16β,20(R)-triol C21H34O3 相似度:63.6% Phytochemistry 1988 27 1173-1179 Pregnane glycosides from an antitumour fraction of Periploca sepium Hideji itokawa,Junping Xu,Koichi Takeya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . buxamine-A 相似度:63.6% Phytochemistry 1990 29 1293-1296 Three steroidal alkaloids from Buxus hildebrandtii Atta-ur-Rahman,Muzaffar Alam,Habib Nasir,Ermias Dagne,Abiy Yenesew Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 17β,2'-dihydroxy-4-androsteno[3,2-d]pyrimidine 相似度:63.6% Indian Journal of Chemistry 2006 45B 959-966 A facile synthesis of steroidal pyrazoles,isoxazoles and pyrimidines from testosterone Singh,Ch Brajakishor; Singh,L Warjeet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 3β-hydroxy-5-pregnen-20-one 相似度:63.6% Steroids 1996 61 74-81 15β-Hydroxysteroids(Part I). Steroids of the human perinatal period: The synthesis of 3β,15β,17α-trihydroxy-5-pregnen-20-one Anthony Y. Reeder, George E. Joannou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . Pregnenolone 相似度:63.6% Steroids 1995 60 442-446 Complete 1H and 13C NMR spectra of pregnenolone Zsuzsa Szendi, Peter Forgó, Frederick Sweet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . Pregnenolone C21H32O2 相似度:63.6% Journal of Asian Natural products Research 2010 12 851-858 Ethylenediamine: an effective reagent for deacetylation of natural products Ramasamy Mohankumar; Kaliappan Ilango; Vichangal Pridiuldi Santhanakrishnan; Viswanathan Radhakrishnan; Srinivasan Narasimhan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . pregnenolone 相似度:63.6% Chinese Journal of Natural Medicines 2007 5 351-354 Chemical Constituents of Notopterygium incisum LI Li-Mei; LIANG Bao-De; YU Shao-Wen; SUN Han-Dong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 3β-hydroxy-5-pregnen-20-one C21H32O2 相似度:63.6% Chinese Journal of Natural Medicines 2010 8 270-273 Chemical Constituents from the Roots of Dysoxylum densiflorum LI Chang-Song; YU Hong-Wei; LI Guo-You; ZHANG Guo-Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . periplocogenin C28H42O6 相似度:63.6% Chinese Pharmaceutical Journal 2009 44 968-971 Steroids from the Roots of Periploca sepium YIN Zhi-qi, WANG Lei, ZHANG Xiao-qi, YE Wen-cai, ZHANG Jian Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . 20(R)-20,21-Aziridinylpregn-5-en-3β-ol C21H33NO 相似度:63.6% Bioorganic & Medicinal Chemistry 1996 4 1447-1453 20-Amino and 20,21-aziridinyl pregnene steroids: Development of potent inhibitors of 17α-hydroxylase/C17,20-lyase (P450 17) Vincent C.O. Njar, Markus Hector, Rolf W. Hartmann Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . 16β-azidomethylandrost-5-ene-3β,17β-diol C20H31N3O2 相似度:63.6% molecules 2011 16 4786-4806 Synthesis and In Vitro Antiproliferative Activity of Novel Androst-5-ene Triazolyl and Tetrazolyl Derivatives Zalán Kádár, Dóra Kovács, Éva Frank, Gyula Schneider, Judit Huber, István Zupkó, Tibor Bartók and János Wölfling Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 3β,5α-pregn-20-one-3-ol 相似度:63.6% Natural Product Research and Development 2008 20 1-4 Pregnane Steroids in Gorgonian Subergorgia suberosa from the South China Sea QI Shu-hua; SU Guo-chen; ZHANG Si Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . compound 5 相似度:63.6% 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 -------------------------------------------------------------------------------- 36 . pregnenolone C21H32O2 相似度:63.6% Acta Scientiarum Naturalium Universitatis Sunyatseni 2005 44(2) 125-126 Bioactive Oxygenated Sterols from the Soft Coral Sinularia microclavata Tix-Dur ZHANG Cui-xian, SU Jing-yu, ZENGLong-mei, LIU Yong-ju, YANG Xiao-ping Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . Isorubijervine 相似度:62.9% Phytochemistry 1995 38 1547-1550 Two steroidal alkaloids from veratrum viride Khalid A. El Sayed, James D. McChesney, Ahmed F. Halim, Ahmed M. Zaghloul, Markus Voehler Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . (3α,8α,9β,10α,13α,14β,17β,20S)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]chol-5-en-24-ol 相似度:62.5% Steroids 2003 68 159-166 First synthesis of ent-desmosterol and its conversion to ent-deuterocholesterol Emily J. Westover, Douglas F. Covey Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 3β-Hydroxy-23,24-bisnornorchol-5-en-22-carbaldehyde 相似度:62.5% Steroids 2005 70 551-562 Preparation of (25R)- and (25S)-26-functionalized steroids as tools for biosynthetic studies of cholic acids Vladimir A. Khripach, Vladimir N. Zhabinskii, Olga V. Konstantinova, Natalya B. Khripach, Alexey V. Antonchick, Andrey P. Antonchick, Bernd Schneider Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . (3α,8α,9β,10α,13α,14β,17α,20S)-Chol-5-en-24-oic acid,methyl ester 相似度:62.5% Steroids 2006 71 484-488 Synthesis of ent-25-hydroxycholesterol Emily J. Westover, Douglas F. Covey Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 24-oxochol-5-en-3β-ol C27H44O2 相似度:62.5% Steroids 2009 74 81-87 A facile synthesis of C-24 and C-25 oxysterols by in situ generated ethyl(trifluoromethyl)dioxirane Shoujiro Ogawa, Genta Kakiyama, Akina Muto, Atsuko Hosoda, Kuniko Mitamura, Shigeo Ikegawa, Alan F. Hofmann, Takashi Iida Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . (20R)-24-bromochol-5-en-3β-ol C24H39BrO 相似度:62.5% Bioorganic & Medicinal Chemistry 2012 20 4064-4081 Substrate analog studies of the ω-regiospecificity of Mycobacterium tuberculosis cholesterol metabolizing cytochrome P450 enzymes CYP124A1, CYP125A1 and CYP142A1 Jonathan B. Johnston, Arti A. Singh, Anaelle A. Clary, Chiung-Kuan Chen, Patricia Y. Hayes, Sharon Chow, James J. De Voss, Paul R. Ortiz de Montellano Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . 25-desmethylveramiline 相似度:62.5% Bioorganic & Medicinal Chemistry Letters 2011 21 3608-3612 Synthesis and biological evaluation of desmethylveramiline, a micromolar Hedgehog inhibitor Guillaume Guerlet, Thomas Spangenberg, André Mann, Hélène Faure, Martial Ruat Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . (3α,8α,9β,10α,13α,14β,17α,20S)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]chol-5-en-24-ol 相似度:61.5% Steroids 2006 71 484-488 Synthesis of ent-25-hydroxycholesterol Emily J. Westover, Douglas F. Covey Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . sitosterol C29H50O 相似度:61.5% Phytochemistry 1987 26 753-754 Iridoid glycosides from Penstemon richardsonii Birgit Gering,Peter Junior,Max Wichtl Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . 豆甾-5,22-二烯-3β-醇 相似度:61.5% Chinese Traditional and Herbal Drugs 2007 38 650-652 Chemical constituents of Xuezhikang Capsula MA Xue-min; GUO Shu-ren; DUAN Zhen-wen; WANG Xiang-yun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . (5'R,20S)-20-(3-isopropyl-4,5-dihydroisoxazol-5-yl)pregn-5-en-3β-ol 相似度:61.5% Russian Journal of Organic Chemistry 2002 38 355-360 Modification of A and B Rings in 20-Dihydroisoxazolyl Steroids and Their Derivatives with a Functionalized Side Chain R. P. Litvinovskaya, N. V. Koval' and V. A. Khripach Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . (22R)-3β,22-dihydroxycholest-5-en-24-one 相似度:61.5% Russian Journal of Organic Chemistry 2002 38 355-360 Modification of A and B Rings in 20-Dihydroisoxazolyl Steroids and Their Derivatives with a Functionalized Side Chain R. P. Litvinovskaya, N. V. Koval' and V. A. Khripach Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 2-(Trimethylsilyl)ethyl3β-hydroxyandrost-5-ene-17β-carboxylate C25H42O3Si 相似度:60.8% Steroids 2005 70 615-625 Etienic etienate as synthon for the synthesis of steroid oligoester gelators Pavel Drašar, Miloš Buděšínský, Miroslav Reschel, Vladimír Pouzar, Ivan Černý Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . [17(20)E]-3β-hydroxypregna-5,17(20)-dien-21-oyl-N-(2-hydroxyethyl)-amide C23H35NO3 相似度:60.8% Bioorganic & Medicinal Chemistry Letters 2010 20 5495-5498 [17(20)E]- and [17(20)Z]-pregna-5,17(20)-dien-21-oylamides. Facile synthesis and primary evaluation for cancer cells proliferation Sergey V. Stulov, Maria G. Zavialova, Arif R. Mehtiev, Roman A. Novikov, Yaroslav V. Tkachev, Vladimir P. Timofeev, Alexander Yu Misharin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 51 . 1 7β-[(t-Butyldimethylsilyl)oxy]-3α-heptafluoropropylandrost-5-en-3β-ol C28H43O2F7Si 相似度:60.8% 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 -------------------------------------------------------------------------------- 52 . [17(20)E]-3β-Hydroxy-N-(2-hydroxyethyl)pregna-5,17(20)-dien-21-amide C23H35NO3 相似度:60.8% Steroids 2012 77 77-84 Synthesis of 21-nitrogen substituted pregna-5,17(20)-dienes from pregnenolone Sergey V. Stulov, Yaroslav V. Tkachev, Roman A. Novikov, Maria G. Zavialova, Vladimir P. Timofeev, Alexander Yu. Misharin Structure 13C NMR 碳谱模拟图 |
2楼2012-09-05 07:19:48