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[求助]
微谱求助一化合物解析
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查询模式：模糊查询 碳的化学位移又低到高为(逗号隔开): 22.9，28.5，29.7，30.0，30.7，36.9，40.1，44.9，52.1，54.3，56.1，58.6，62.8，66.7，69.5，93.5，118.1，119.2，123.7，132.4，133.4，142.0. 一共22个碳。相似度>=60%  |
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2楼2012-08-19 00:55:08
【答案】应助回帖
★ ★ ★ ★ ★
感谢参与，应助指数 +1
swaucq: 金币+5, ★★★★★最佳答案 2012-08-19 10:05:04
感谢参与，应助指数 +1
swaucq: 金币+5, ★★★★★最佳答案 2012-08-19 10:05:04
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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 22.9,28.5,29.7,30.0,30.7,36.9,40.1,44.9,52.1,54.3,56.1,58.6,62.8,66.7,69.5,93.5,118.1,119.2,123.7,132.4,133.4,142.0 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82个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . compound 12a 相似度:59.2% Bioorganic & Medicinal Chemistry 1998 6 2029-2039 New 1α,25-dihydroxy vitamin D3 analogues with side chains attached to C-18: synthesis and biological activity Gunnar Grue-Sørensen, Christina Mørk Hansen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . notoamide F C27H31N3O4 相似度:55.5% Journal of Natural Products 2008 71(12) 2064-2067 Notoamides F-K, Prenylated Indole Alkaloids Isolated from a Marine-Derived Aspergillus sp. Sachiko Tsukamoto, Hikaru Kato, Masayuki Samizo, Yuka Nojiri, Hiroyuki Onuki, Hiroshi Hirota, and Tomihisa Ohta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 5α,6α-Epoxy-3β-hydroxypregnan-20-one 相似度:54.5% Molecules 2009 14 4655-4668 Synthesis of Pregnane Derivatives, Their Cytotoxicity on LNCap and PC-3 Cells, and Screening on 5α-Reductase Inhibitory Activity Sujeong Kim and Eunsook Ma Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . (1S*)-1-Methoxybromotetrasphaerol C21H35BrO2 相似度:54.5% Chemistry & Biodiversity 2010 7 186-195 Structure and Antibacterial Activity of Brominated Diterpenes from the Red Alga Sphaerococcus coronopifolius Vangelis Smyrniotopoulos, Constantinos Vagias, Mukhlesur M. Rahman, Simon Gibbons and Vassilios Roussis Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . Guan Fu base K C20H27NO4 相似度:54.5% Chinese Traditional and Herbal Drugs 2002 33 201-203 Guan Fu base K,new diterpene alkaloid from Aconitum coreanum YANG Chun hua; LIU Jing han; XIANG Bing ren; Lü Yang; WANG Cheng; ZHENG Qi tai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 14-epi-19S-hydroxypentacycle C23H31N3O3 相似度:54.5% Tetrahedron 1998 54 14845-14858 First total synthesis of 19S-hydroxytacamine, an indole alkaloid from Tabernaemontana eglandulosa, and of its C-19 stereoisomer, 19R-hydroxytacamine Mauri Lounasmaa, David Din Belle, Arto Tolvanen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . kalihipyran C C21H31NO2 相似度:54.5% Marine Drugs 2012 10 1445-1458 Formamido-Diterpenes from the South China Sea Sponge Acanthella cavernosa Ying Xu, Jun-Hui Lang, Wei-Hua Jiao, Ru-Ping Wang, Ying Peng, Shao-Jiang Song, Bao-Hua Zhang and Hou-Wen Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . compound 18 相似度:52.1% Bioorganic & Medicinal Chemistry 2009 17 6526-6533 Synthesis and GABAA receptor activity of 2,19-sulfamoyl analogues of allopregnanolone Fernando J. Durán, Valeria C. Edelsztein, Alberto A. Ghini, Mariana Rey, Héctor Coirini, Philippe Dauban, Robert H. Dodd, Gerardo Burton Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . daphmanidin A 相似度:52% Journal of Natural Products 2006 69 1065-1069 Daphnioldhanins A−C, Alkaloids from Daphniphyllum oldhami Shu-Zhen Mu, Ye Wang, Hong-Ping He, Xian-Wen Yang, Yue-Hu Wang, Ying-Tong Di, Yang Lu, Ying Chang, and Xiao-Jiang Hao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . compound H3 相似度:52% Tetrahedron Letters 2004 45 3969-3973 A novel chromatism switcher with double receptors selectively for Ag+ in neutral aqueous solution: 4,5-diaminoalkeneamino-N-alkyl-l,8-naphthalimides Lihua Jia, Yu Zhang, Xiangfeng Guo, Xuhong Qian Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . daphmanidin A C25H34NO5 相似度:52% The Journal of Organic Chemistry 2002 67 6546-6549 Daphmanidin A, a Novel Hexacyclic Alkaloid from Daphniphyllum teijsmanii Jun'ichi Kobayashi, Satoshi Ueno, and Hiroshi Morita Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . notoamide G C27H31N3O5 相似度:51.8% Journal of Natural Products 2008 71(12) 2064-2067 Notoamides F-K, Prenylated Indole Alkaloids Isolated from a Marine-Derived Aspergillus sp. Sachiko Tsukamoto, Hikaru Kato, Masayuki Samizo, Yuka Nojiri, Hiroyuki Onuki, Hiroshi Hirota, and Tomihisa Ohta Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . (5E,7E)-(3S)-19-hydroxymethyl-9,10-secocholesta-5,7-diene-1α,3β-diol 相似度:51.8% Steroids 2007 72 552-558 Synthesis of γ- and δ-lactones from 1α-hydroxy-5,6-trans-vitamin D3 by ring-closing metathesis route and their reduction with metal hydrides Agnieszka Wojtkielewicz, Jacek W. Morzycki Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . veratramine 相似度:51.8% Acta Pharmaceutica Sinica 1989 Vol 24 668-672 STRUCTURE OF PINGBEIDINOSIDE,AN ALKALOID ISOLATED FROM THE STEMS AND LEAVES OF FRITILLARIA USSURIENSIS MAXIM DM Xu; SQ wang; EX Huang; ML Xu and XG wen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . phyllostacin F C20H28O6 相似度:50% Helvetica Chimica Acta 2008 Vol. 91 1130 ent-Kaurane Diterpenoids from Isodon phyllostachys Xian Li, Zhi-Ying Weng, Yong Li, Jian-Xin Pu, Sheng-Xiong Huang, Wei-Lie Xiao, and Han-Dong Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . wrightiamine A C21H34N2 相似度:50% Chemical & Pharmaceutical Bulletin 2003 51(6) 737-739 Wrightiamines A and B, Two New Cytotoxic Pregnane Alkaloids from Wrightia javanica Souichi KAWAMOTO,Takashi KOYANO,Thaworn KOWITHAYAKORN, Haruhiro FUJIMOTO,Emi OKUYAMA, Masahiko HAYASHI,Kanki KOMIYAMA, and Masami ISHIBASHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . (2S,3R,4E,8E)-N-Hexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol C35H67NO3 相似度:50% Chemical & Pharmaceutical Bulletin 2002 50(5) 681-684 Ceramide Constituents from Five Mushrooms Yasunori YAOITA, Rie KOHATA, Rie KAKUDA, Koichi MACHIDA, and Masao KIKUCHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 8β,17-epoxy-3β,7β-dihydroxy-12(E)-labden-16,15-olide C20H30O5 相似度:50% Phytochemistry 2002 60 197-200 Three labdane diterpenoids from Aframomum sceptrum (Zingiberaceae) Christabel Tomla, Pierre Kamnaing, Godfred A. Ayimele, Eric A. Tanifum,Apollinaire Tsopmo, Pierre Tane, Johnson F. Ayafor, Joseph D. Connolly Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 19-N,N-dimethylcarbamoxy-13,17ξ,18-trihydroxystemarane 相似度:50% Phytochemistry 2002 59 57-62 Biotransformation of terpenes from Stemodia maritima by Aspergillus niger ATCC 9142 Avril R.M. Chen, Paul B. Reese Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 2,3-dihydroxy-labda-8(17),12(E),14-triene C20H32O2 相似度:50% Phytochemistry 2001 56 103-107 Cytotoxic labdane diterpenoids from Croton oblongifolius Sophon Roengsumran, Amorn Petsom, Narupat Kuptiyanuwat, Tirayut Vilaivan,Nattaya Ngamrojnavanich, Chaiyo Chaichantipyuth, Songchan Phuthong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 3R,17-dihydroxy-ent-pimara-8(14),15-diene C20H32O2 相似度:50% Journal of Natural Products 2006 69 967-970 Diterpenoids from the Roots of Euphorbia fischeriana Yu-Bo Wang, Rong Huang, Hong-Bing Wang, Hui-Zi Jin, Li-Guang Lou, and Guo-Wei Qin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . parvifoline K C22H34O8 相似度:50% Journal of Natural Products 2006 69 645-649 7α,20-Epoxy-ent-kauranoids from Isodon parvifolius Li Li Li, Guo-You Li, Sheng-Xiong Huang, Sheng-Hong Li,Yan Zhou, Wei-Lie Xiao, Li Lou, Li Ding, and Han-Dong Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . macrocarpine A 相似度:50% Journal of Natural Products 2004 67 547-552 New Indole Alkaloids from Alstonia macrophylla Toh-Seok Kam, and Yeun-Mun Choo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . c-[Ava-β-Ala-Ala-Trp-Val] C27H38N6O5 相似度:50% Journal of Natural Products 2004 67 1325-1331 Synthesis, Conformational Analysis, and Cytotoxicity of New Analogues of the Natural Cyclodepsipeptide Jaspamide Stefania Terracciano, Ines Bruno, Giuseppe Bifulco, Jean E.Copper, Charles D. Smith, Luigi Gomez-Paloma, and Raffaele Riccio Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . vincophylline C21H27N2O3 相似度:50% Journal of Natural Products 2007 70 1783-1789 Biologically Active Aspidofractinine, Rhazinilam, Akuammiline, and Vincorine Alkaloids from Kopsia G. Subramaniam, Osamu Hiraku,Masahiko Hayashi, Takashi Koyano, Kanki Komiyama, and Toh-Seok Kam Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 19-epi-isovoacristine C22H28N2O4 相似度:50% Journal of Natural Products 2002 65 669-672 Five New Iboga Alkaloids from Tabernaemontana corymbosa Toh-Seok Kam and Kooi-Mow Sim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . ent-1β,6α,7α,11β-tetrahydroxy-17-methoxy-7β,20-epoxykauran-15-one C21H32O7 相似度:50% Phytochemistry 2009 70 1462-1466 Cytotoxic ent-kaurane diterpenoids from Isodon sinuolata Fei He, Wei-Lie Xiao, Jian-Xin Pu, Ying-Li Wu, Hai-Bo Zhang, Xiao-Nian Li, Yong Zhao, Li-Bin Yang, Guo-Qiang Chen, Han-Dong Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 19-epi-isovoacristine C22H28N2O4 相似度:50% Chemical & Pharmaceutical Bulletin 1994 42 280-284 Two New Dimeric Indole Alkaloids from Tabernaemontana subglobosa MERR. from Taiwan Hiromitsu TAKAYAMA,Shinya SUDA,Ih-Sheng CHEN,Mariko KITAJIMA,Norio AIMI and Shin-ichiro SAKAI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . borapetol B C21H26O7 相似度:50% Chemical & Pharmaceutical Bulletin 1986 34 2868-2872 Studies on the Constituents of the Stems of Tinospora tuberculata BEUMEE, III. : New Diterpenoids, Borapetoside B and Borapetol B NAOMICHI FUKUDA,MICHIKO YONEMITSU and TAKEATSU KIMURA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . marsectohexol C21H34O6 相似度:50% Chemical & Pharmaceutical Bulletin 1985 33 2287-2293 Studies on the Constituents of Asclepiadaceae Plants. LIX. The Structures of Five New Glycosides from Dregea volubilis (L.) BENTH. SHINICHI YOSHIMURA,HIROMI NARITA,KOJI HAYASHI and HIROSHI MITSUHASHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . turpelline C22H33NO4 相似度:50% Chemistry of Natural Compounds 1996 32 932-1028 ALKALOIDS. PLANTS, STRUCTURES, PROPERTIES" Chapter , continued R. Shakirov, M. V. Telezhenetskaya, I. A. Bessonova,S. F. Aripova, I. A. Israilov, M. N. Sultankhodzhaev,V. I. Vinogradova, V. I. Akhmedzhanova, T. S. Tulyaganov,B. T. Salimov, and V. A. Tel'nov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . Turpelline C22H23NO 4 相似度:50% Chemistry of Natural Compounds 1993 29 658-661 ALKALOIDS OF THE FLORA OF MONGOLIA V. TURPELLINE -- A NEW ALKALOID FROM Aconitum turczaninowii N. Batbaryar, D. Batsuren, A. A. Semenov,and M. N. Sultankhodzhaev Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . (4E)-2-Azido-1-O-[ (tert-butyl)diphenylsilyl]-2,4,5-trideoxy-3-O-(methoxymethyl)-6-O-undecyl-derythro- hex-4-enitol C35H55N3O4Si 相似度:50% Helvetica Chimica Acta 2009 92 918-927 Synthesis and Evaluation of N-Acetyl-2-amino-2-deoxy-α-D-galactosyl 1-Thio-7-oxaceramide, a New Analogue of α-D-Galactosyl Ceramide Roshini Rajan, Thresen Mathew, Radovan Buffa, Frédéric Bornancin, Marco Cavallari, Peter Nussbaumer, Gennaro De Libero, Andrea Vasella Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (4E)-2-Azido-2,4,5-trideoxy-3-O-(methoxymethyl)-6-O-undecyl-d-erythro-hex-4-enitol C19H37N3O4 相似度:50% Helvetica Chimica Acta 2009 92 918-927 Synthesis and Evaluation of N-Acetyl-2-amino-2-deoxy-α-D-galactosyl 1-Thio-7-oxaceramide, a New Analogue of α-D-Galactosyl Ceramide Roshini Rajan, Thresen Mathew, Radovan Buffa, Frédéric Bornancin, Marco Cavallari, Peter Nussbaumer, Gennaro De Libero, Andrea Vasella Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . glaucogenind C 相似度:50% Acta Pharmaceutica Sinica 1992 27 595-602 C_(21) STEROIDAL CONSTITUENTS FROM CYNANCHUM HANCOCKIANUM HX Lou; X Li; TR Zhu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . 16,17[d]-Pyrimidino-androst-5-en-3β-ol C21H28N2O 相似度:50% Steroids 2002 67 749-756 Syntheses and advanced NMR structure determination of androsteno-[17,16-d]-pyrimidine derivatives Peter Forgo, Irén Vincze Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . compound 1a C21H28O5 相似度:50% Steroids 2006 71 67-76 Steroidal glycosides from Cynanchum forrestii Schlechter Yue Liu, Youcai Hu, Shishan Yu, Guangmiao Fu, Xiangzhong Huang, Lihua Fan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . (3S,8R,9S,10R,13S,14S)-3-(Methoxymethoxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1Hcyclopenta[a]phenanthren-17-yl trifluoromethanesulfonate C22H31F3O5S 相似度:50% Steroids 2010 75 936-943 Pd(PPh3)4/AgOAc-catalyzed coupling of 17-steroidal triflates and alkynes: Highly efficient synthesis of D-ring unsaturated 17-alkynylsteroids Qian Sun, Chenggang Jiang, Hangxian Xu, Zonglei Zhang, Lanhai Liu, Cunde Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . compound 12a C21H26N2O2 相似度:50% Phytochemistry 1999 51 839-844 Alkaloids from the stem-bark of Alstonia macrophylla Toh-Seok Kam, Ing-Ho Iek, Yeun-Mun Choo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . compound 12b C21H26N2O2 相似度:50% Phytochemistry 1999 51 839-844 Alkaloids from the stem-bark of Alstonia macrophylla Toh-Seok Kam, Ing-Ho Iek, Yeun-Mun Choo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . methyl 15-hydroxy-1(10)-ent-halimen-18-oate 相似度:50% Phytochemistry 1997 44 1301-1307 Hydrohalimic acids from Halimium viscosum Dina I. M. D. de Mendonça, Jesus M. L. Rodilla, Anna M. Lithgow, Isidro S. Marcos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . methyl 15-methoxy-1(10)-ent-halimen-18-oate 相似度:50% Phytochemistry 1997 44 1301-1307 Hydrohalimic acids from Halimium viscosum Dina I. M. D. de Mendonça, Jesus M. L. Rodilla, Anna M. Lithgow, Isidro S. Marcos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . 21-oxogelsevirine 相似度:50% Journal of Natural Products 1986 Vol 49 483 21-Oxogelsevirine, a New Alkaloid from Gelsemium rankinii Yeh Schun, Geoffrey A. Cordell, Mark Garland Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . 16α,177-dihydro-16α,17-dihydroxy-GA4 Me ester C20H28O7 相似度:50% Phytochemistry 1992 31 1869-1877 Gibberellins A82 and A83 in seed of Lupinus albus Paul Gaskin, Gordon V. Hoad, Jake Macmillan, Ian K. Makinson, Jo E. Readman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . kopsiyunnanine G C21H28N2O2 相似度:50% Chemical & Pharmaceutical Bulletin 2010 58 961-963 Two New Aspidosperma Indole Alkaloids from Yunnan Kopsia arborea Yuqiu Wu, Mariko Kitajima, Noriyuki Kogure, Yunsong Wang, Rongping Zhang and Hiromitsu Takayama Structure 13C NMR 碳谱模拟图 |
3楼2012-08-19 00:55:18