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[求助]
跪求能用微谱数据库的虫子们，帮忙查一下碳谱数据，本人送6个金币！！！
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跪求：能用微谱数据库的虫子们，帮忙查下列三萜类化合物的C谱数据的目核及文献，文献越近越好，本人送6个金币！多谢虫侠！ 化合物1的C谱： 216.98,141.63,123.93,76.50,51.31,50.83,47.68,47.61,46.61,45.40,41.95,39.35,38.44,38.04,36.31,34.04,31.97,31.93,30.47,27.22,25.33,25.26,25.02,23.90,20.59,20.52,16.87,15.15,13.91 化合物2的C谱： 217.08,141.68,124.00,71.79,50.89,47.72,47.66,46.62,45.26,44.99,42.09,39.59,36.77,34.60,34.09,33.54,32.00,31.82,28.77,27.27,25.49,25.28,24.98,23.79,20.54,20.48,16.95,16.35,12.83 化合物3的C谱： 216.64,213.16,141.71,123.47,53.45,50.75,47.61,47.48,46.52,45.08,44.62,41.91,40.21,39.34,37.31,36.51,33.98,31.90,31.52,27.09,25.20,24.99,23.97,21.88,20.49,16.75,13.32,11.57 |
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【答案】应助回帖
★ ★
xiaoxiao270: 金币+2, 3Q 2012-04-02 17:23:28
xiaoxiao270: 金币+2, 3Q 2012-04-02 17:23:28
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化合物3的结果： Chemistry & Biodiversity 2008 Vol. 5 751 New Pentacyclic Triterpenes from Gypsophila oldhamiana and Their Biological Evaluation as Glycogen Phosphorylase Inhibitors Jian-Guang Luo, Jun Liu, and Ling-Yi Kong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 3-Keto,16α-hydroxy,24-noroleanolic acid 相似度:75.8% Bioorganic & Medicinal Chemistry 2008 16 2912-2920 New triterpenoid saponins with strong α-glucosidase inhibitory activity from the roots of Gypsophila oldhamiana Jian-Guang Luo, Li Ma, Ling-Yi Kong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . compound 5 C27H40O4 相似度:71.4% Phytochemistry 1990 29 919-922 Dammarane triterpenes of Salvia hierosolymitana Samuel Pedreros,Benjamin Rodríguez,María C. De La Torre,Maurizio Bruno,Giuseppe Savona,Aurea Perales,Maria R. Torres Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . Methyl(20R)-20-(4-methyl-3-pentenyl)-3-oxo-pregnan-1-en-21-oate C28H42O3 相似度:71.4% Steroids 2010 75 1153-1163 Synthesis and antitumor evaluation of methyl spongoate analogs Cheng-Shi Jiang, Cai-Guo Huang, Bo Feng, Jia Li, Jing-Xu Gong, Tibor Kurtán, Yue-Wei Guo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . Soyasapogenol E 相似度:70% Phytochemistry 1998 49 709-717 Bioactive polar triterpenoids from Melilotus messanensis Francisco A. Macías, Ana M. Simonet, Juan Carlos G. Galindo, Pedro C. Pacheco, Jose A. Sánchez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . camelliagenone C30H48O4 相似度:70% Chemical & Pharmaceutical Bulletin 2011 59(6) 778-782 New Triterpenes from Barringtonia asiatica Consolacion Yasaña RAGASA, Dinah Lorenzana ESPINELI, and Chien-Chang SHEN Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 3-oxoolean-12-en-30-oic acid methyl ester C31H47O3 相似度:67.7% Chemistry of Natural Compounds 2009 45 519-521 BECKMANN REARRANGEMENT OF 11-DEOXO-GLYCYRRHETICACID 3-KETOXIME L. R. Mikhailova, M. V. Khudobko,L. A. Baltina, Jr., and L. A. Baltina Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3-Oxo-16β-hydroxy-olean-12-en-28-al C30H46O3 相似度:66.6% Chemical & Pharmaceutical Bulletin 2007 55(4) 577-579 A Novel Benzofuran Derivative, a New Olean-Type Triterpene and Other Constituents from Ligularia odontomanes Dong Qing FEI, Gang WU, Chun Mei LIU, and Kun GAO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 22β-hydroxy-12-oleanen-3-one C30H48O2 相似度:66.6% Journal of Natural Products 2008 71(11) 1829-1832 Triterpenoids and Aromatics from Derris laxiflora Hsi-Lin Chiu, Jyh-Horng Wu, Yu-Tang Tung, Tzong-Huei Lee, Shin-Chang Chien, and Yueh-Hsiung Kuo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 29-hydroxy-12-oleanene-3,22-dione C30H46O3 相似度:66.6% Journal of Natural Products 2008 71(11) 1829-1832 Triterpenoids and Aromatics from Derris laxiflora Hsi-Lin Chiu, Jyh-Horng Wu, Yu-Tang Tung, Tzong-Huei Lee, Shin-Chang Chien, and Yueh-Hsiung Kuo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 23-Hydroxylongispinogenin 相似度:66.6% Chemistry of Natural Compounds 1992 28 1-23 13C NMR SPECTROSCOPY OF OLEANANE DERIVATIVES A. I. Kalinovskii Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . Abrisapogenol F 相似度:66.6% Chemistry of Natural Compounds 1992 28 1-23 13C NMR SPECTROSCOPY OF OLEANANE DERIVATIVES A. I. Kalinovskii Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . soyasapogenol E 相似度:66.6% Journal of Natural Products 1988 Vol 51 335 Melilotigenin, a New Sapogenin from Melilotus officinalis Sam Sik Kang, Won Sick Woo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . gypsogenic acid 相似度:66.6% Archives of Pharmacal Research 1985 8 133-137 Phytochemical study on Melandrium firmum Won Sick Woo, Jae Sue Choi and Hye Soon Chang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 3-oxo-22α-hydroxy-olean-12-en-28-oic acid C30H46O4 相似度:66.6% Natural Product Communications 2012 7 13-14 Constituents of Kenyan Gardenia volkensii Esther W. Kinuthia, Moses K. Langat*, Elizabeth M. Mwangi and Peter K Cheplogoi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . acinospesigenin-A C32H50O6 相似度:65.6% Journal of Natural Products 2003 66 1121-1123 Acinospesigenin-A, -B, and -C: Three New Triterpenoids from Phytolacca acinosa Summon Koul, T. K. Razdan,and C. S. Andotra Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 19a-hydroxy-3-oxo-24-norolean-12-en-28-oic acid C29H44O4 相似度:65.5% Helvetica Chimica Acta 2006 Vol. 89 1971 Three New 24-Noroleanane Triterpenoids from Quercus aliena var. acuteserrata Hua-Dong Chen, Sheng-Ping Yang, Shang-Gao Liao, Chuan-Rui Zhang, and Jian-Min Yue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 2a,19a-dihydroxy-3-oxo-24-norolean-12-en-28-oic acid C29H44O5 相似度:65.5% Helvetica Chimica Acta 2006 Vol. 89 1971 Three New 24-Noroleanane Triterpenoids from Quercus aliena var. acuteserrata Hua-Dong Chen, Sheng-Ping Yang, Shang-Gao Liao, Chuan-Rui Zhang, and Jian-Min Yue Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 24-nor-2α,3β-dihydroxyolean-4(23),12-ene (4) C29H46O2 相似度:65.5% Planta Medica 2006 72 643-649 New Polyhydroxylated Triterpenes and Anti-Inflammatory Activity of Salvia hierosolymitana A. De Felice,A. Bader,A. Leone,S. Sosa,R. Della Loggia,A. Tubaro,N. De Tommasi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 17β-hydroxy-3,16-dioxo-28-norolean-12-ene C29H44O3 相似度:65.5% Planta Medica 2003 69 258-264 New Dihydrobenzofurans and Triterpenoids from Roots of Microglossa pyrifolia homas J.Schmidt,Meike R.Hildebrand,Günter Willuhn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 3-keto,16α-hydroxyl,24-noroleanolic acid 相似度:65.5% Phytochemistry 1998 48 529-536 Triterpenoid saponins and sapogenins from Vaccaria segetalis Zhonghua Jia, Kazuo Koike, Momoe Kudo, Hongyu Li, Tamotsu Nikaido Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . aglycone of dianchinenoside A 相似度:65.5% Journal of Natural Products 1993 Vol 56 1065 Dianchinenosides A and B, Two New Saponins from Dianthus chinensis Hong-yu Li, Kazuo Koike, Taichi Ohmoto, Keiji Ikeda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . (5R,8R,9R,10S,14S,17R,18R)-28-norolean-12-en-3,11,16-trione C29H42O3 相似度:65.5% Phytochemistry 2011 72 1804-1813 Triterpenes and neolignans from the roots of Nannoglottis carpesioides Cai-Bin Xue, Duo-Wu Chai, Xiao-Jie Jin, Yu-Rong Bi, Xiao-Jun Yao, Wang-Suo Wu, Ying Zhu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 3-N-1-[N(3-[4-Aminobutyl])-1,3-diaminopropane]-7,22-dihydroxy-23,24-bisnor-5α-cholane trihydrochloride C29H55N3O2 相似度:65.5% Bioorganic & Medicinal Chemistry 2000 8 2059-2065 Synthesis and antimicrobial activity of squalamine analogue Hong-Seok Kim, Bo-Seung Choi, Kyung-Chan Kwon, Sang-Ok Lee, Hyun Jung Kwak, Cheol Hae Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . (22E,24S)-3α,5-cyclo-stigmast-22-en-6-one 相似度:65.5% Steroids 2012 77 91-99 Brassinosteroids and analogs as neuroprotectors: Synthesis and structure–activity relationships Jihane Ismaili, Martin Boisvert, Fanny Longpré, Julie Carange, Céline Le Gall, Maria-Grazia Martinoli, Benoit Daoust Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . β-sitosterol-3-O-stearate 相似度:65.5% Natural Product Research and Development 1996 8(1) 5-9 THE CONSTITUENTS FROM THE RHIZOMA OF ALTSMA ORIENTALIS (SAM) JUZEP. Cai Lining; Wang Hongshu; Cao Hongxing; Zhang Ruyi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . 21β,28-dihydroxy-3-oxo-olean-12,20(30)-diene C29H44O3 相似度:65.5% Tetrahedron 2001 57 8413-8424 Immunosuppressive terpenoids from extracts of Tripterygium wilfordii Hongquan Duan, Yoshihisa Takaishi, Hiroshi Momota, Yasukazu Ohmoto, Takao Taki, Motoo Tori, Shigeru Takaoka, Yongfeng Jia, Duan Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . 3-oxohederagenin 相似度:64.5% Journal of Natural Products 1999 62 445-448 Triterpenoid Saponins of Acanthopanax nipponicus Leaves Masazumi Miyakoshi, Katsuya Shirasuna, Yasuaki Hirai, Kazushi Shingu, Susumu Isoda, Junzo Shoji, Yoshiteru Ida, and Torao Shimizu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . pisonolic acid C31H48O5 相似度:64.5% Journal of Natural Products 2011 74 976-982 Antitubercular Chromones and Flavonoids from Pisonia aculeata Ming-Chun Wu, Chien-Fang Peng, Ih-Sheng Chen, and Ian-Lih Tsai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . remangilone B C28H38O3 相似度:64.2% Journal of Natural Products 1999 62 471-476 Remangilones A-C, New Cytotoxic Triterpenes from Physena madagascariensis Yonghong Deng, Tian-Yi Jiang, Shijie Sheng, Manoelson Tianasoa-Ramamonjy, and John K. Snyder Structure 13C NMR 碳谱模拟图 |
8楼2012-04-02 16:03:54
2楼2012-04-02 13:22:51
3楼2012-04-02 14:52:00
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化合物1 的C谱： 13.91,15.15,16.87,20.52,20.59,23.9,25.02,25.26,25.33,27.22,30.47,31.93,31.97,34.04,36.31,38.04,38.44,39.35,41.95,45.4,46.61,47.61,47.68,50.83,51.31,76.5,123.93,141.63,216.98 化合物2的碳谱： 12.83,16.35,16.95,20.48,20.54,23.79,24.98,25.28,25.49,27.27,28.77,31.82,32,33.54,34.09,34.6,36.77,39.59,42.09,44.99,45.26,46.62,47.66,47.72,50.89,71.79,124,141.68,217.08 化合物3的碳谱： 11.57,13.32,16.75,20.49,21.88,23.97,24.99,25.2,27.09,31.52,31.9,33.98,36.51,37.31,39.34,40.21,41.91,44.62,45.08,46.52,47.48,47.61,50.75,53.45,123.47,141.71,213.16,216.64  |
4楼2012-04-02 15:20:24