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丑小丫2009金虫 (著名写手)
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[求助]
微谱C数据求结构
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溶剂为CDCl3 碳谱数据为：12.3,17.6,18.8,19.6,19.9,21.1,22.1,22.9,27.9,30.9,33.0,33.1,37.2,39.2,39.5,40.4,42.8,43.5,43.8,54.8,56.0,67.7,73.7,76.0,77.2,117.6,132.2,135.4,144.0 谢谢 |
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【答案】应助回帖
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感谢参与，应助指数 +1
丑小丫2009: 金币+25 2012-07-06 12:28:52
感谢参与，应助指数 +1
丑小丫2009: 金币+25 2012-07-06 12:28:52
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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 12.3,17.6,18.8,19.6,19.9,21.1,22.1,22.9,27.9,30.9,33.0,33.1,37.2,39.2,39.5,40.4,42.8,43.5,43.8,54.8,56.0,67.7,73.7,76.0,77.2,117.6,132.2,135.4,144.0 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3285个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . cerevisterol 相似度:96.5% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 6,9-Epoxy-ergosta-7,22-dien-3β-ol 相似度:96.5% Biochemical Systematics and Ecology 2007 35 790-793 Triterpenes and steroids from Armillaria mellea Vahl. ex Fr. Wen-Juan Guo, Shun-Xing Guo, Jun-Shan Yang, Xiao-Mei Chen, Pei-Gen Xiao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 5α,6α-epoxy-24(R)-methylcholesta-7,22-dien-3β-ol C28H44O2 相似度:96.5% Phytochemistry 1999 51 891-898 Antitumor sterols from the mycelia of Cordyceps sinensis Jin Woo Bok, Leonard Lermer, Jeff Chilton, Hans G. Klingeman, G.H. Neil Towers Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . ergosta-7,22-diene-2β,3α,9α-triol C28H46O3 相似度:96.5% Journal of Natural Products 1991 Vol 54 998 Novel Cytotoxic Principles of Formosan Ganoderma lucidum Chun-Nan Lin, Whey-Pim Tome, Shen-Jeu Won Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 5,6-Epoxy-22-en-3-ol-ergosterol C28H44O2 相似度:96.5% Chemical Research in Chinese Universities 1998 14 270-272 Chemical Constituent of Natural Body of Armillaria mellea and Structure of 5, 6-Epoxy-22-en-3-ol-ergosterol SHI Lei, CAO Rui-min, LU Shi-xiang and WU Guang-xuan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . cerevisterol (3β,5α,6β-trihydroxyergosta-7,22-diene) 相似度:96.5% Phytochemistry 1988 27 2777-2779 Cytotoxic steroids from the mushroom Agaricus blazei Hirokazu Kawagishi,Ryosuke Katsumi,Toshimi Sazawa,Takashi Mizuno,Toshihiko Hagiwara,Takuji Nakamura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . ergosta-6,22-dien-3β,5β,8β-triol 相似度:96.5% Chinese Traditional and Herbal Drugs 2000 31 328-330 褐圆孔牛肝菌化学成分的研究 万辉 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . ergosta-7,22-diene-3β,5α,6β-triol 相似度:96.5% Chinese Journal of Medicinal Chemistry 2005 15 221-223 The chemical constituents from the mycel ia of marine fungus Rhizopus sp. SHI Ying, TIAN Li, PEI Yue-hu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 5α,6α-epoxy-24(R)-methylcholesta-7,22-dien-3β-ol 相似度:96.5% Chinese Journal of Medicinal Chemistry 2008 18 452-456 Secondary metabolites produced by Fusarium sp. 2TnP1-2, an endophytic fungus from Trewia nudif lora DU Zhi-zhi, SONG Cheng-zhi, YU Bu-zhu, LUO Xiao-dong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . (22E,24S)-24-methyl-5α-cholesta-7,22-diene-3β,5α,6β-triol 相似度:96.5% Natural Product Research and Development 2006 18 238-242 Chemical Study on Porandra scandens HE Zhi-heng; LUO Ying-gang; LI Hong-juan（; ZHANG Guo-lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . (22E,24S)-24-methyl-5α-cholesta-7,22-diene-3β,5α,6β-triol 相似度:96.5% Natural Product Research and Development 2006 18 411-414 Phytochemical Study on Zehneria maysorensis LI Hong-juan;LUO Ying-gang; HE Zhi-heng; ZHANG Guo-lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . ergosta-6,22-dien-3β,5β,8β-triol 相似度:96.5% Natural Product Research and Development 1999 11(6) 18-21 THREE STEROLS FROM GYROPORUS CASTANEUS Wan Hui; Sun Rongqi; Wu Dajun; Guo Beishu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 6,9-epoxyergosta-7,22-dien-3-ol 相似度:93.1% Acta Botanica Sinica 2002 44 1239-1242 Chemical Constituents of One Species of Endophytic Fungus in Taxus chinensis ZHANGJi-Hui, GUO Shun-Xing YANGJun-Shan, XIAO Pei-Gen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . cerevisterol 相似度:93.1% Phytochemistry 1997 44 1443-1448 Cytochalasins and phytotoxins from the fungus Xylaria obovata Dawit Abate, Wolf-Rainer Abraham, Holger Meyer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 6,9-epoxy-ergosta-7,22-dien-3-ol C28H44O2 相似度:93.1% Acta Pharmaceutica Sinica 2000 Vol 35 367-369 THE STEROL CONSTITUENTS OF MYCENA DENDROBII CHEN Xiao Mei; YANG Jun Shan; GUO Shun Xing Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . ergosta-7,22-diene-3β,5α,6β-triol 相似度:93.1% Chinese Traditional and Herbal Drugs 2011 42 31-33 Chemical constituents of Dendrobium crystallinum WANG Lei, ZHANG Chao-feng, WANG Zheng-tao, ZHANG Mian, XU Luo-shan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . (3β,5α,6β,22E)-6-methoxyergosta-7,22-diene-3,5-diol 相似度:89.6% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . biemnasterol C28H44O3 相似度:89.6% Journal of Natural Products 1993 Vol 56 2016 Biemnasterol, a New Cytotoxic Sterol with the Rare 22,25-Diene Side Chain, Isolated from the Marine Sponge Biemna sp. Chun-min Zeng, Masami Ishibashi, Jun'ichi Kobayashi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 3β,5α-dihydroxy-6β-methoxyergosta-7,22-diene C29H48O3 相似度:89.6% Phytochemistry 1988 27 2777-2779 Cytotoxic steroids from the mushroom Agaricus blazei Hirokazu Kawagishi,Ryosuke Katsumi,Toshimi Sazawa,Takashi Mizuno,Toshihiko Hagiwara,Takuji Nakamura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . (22E,24R)-rgosta-7,22-diene-3β,5α,6β-triol 相似度:89.6% Natural Product Research and Development 2007 19 610-613 Chemical Constituents from Schizophyllum commune MAO Shao-chun; LI Zhu-ying; LI Cong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 6-methoxy-cerevisterol 相似度:89.6% Natural Product Research and Development 2007 19 605-609 Study on the Chemical Constitutes of Hydnellum concrescens YANG Xiao-long;WANG Fei; SHAO Hong-jun; DONG Ze-jun; DING Zhi-hui; YANG Wan-qiu; LIU Ji-kai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 3β,16β,30-trihydroxycycloart-20,24-diene C30H52O3 相似度:86.6% Zeitschrift für Naturforschung C 2002 57 489-495 Microbial Transformation of a Mixture of Argentatin A and Incanilin Key words: Argentatin A, Incanilin, Biotransformation Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . (22E,24R)-6-Acetoxy-ergosta-7,22-dien-3β,5α,6β-triol 相似度:86.6% Natural Product Communications 2009 4 1449-1454 Ring B Aromatic Steroids from an Endophytic Fungus, Colletotrichum sp. Wen Zhang , Siegfried Draeger, Barbara Schulz and Karsten Krohn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . (22E,24R)-23-methylergosta-7,22-diene-3β,5α,6β-triol C29H48O3 相似度:86.2% Chemical & Pharmaceutical Bulletin 1999 47 847-851 Sterol Constituents from Seven Mushrooms Yasunori YAOITA,Makiko ENDO,Yoshino TANI,Kaori MACHIDA,Keiko AMEMIYA,Katsuyuki FURUMURA and Masao KIKUCHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 3β,5α-Dihydroxy-6β-methoxyergosta-7,22-diene 相似度:86.2% Archives of Pharmacal Research 2002 25 851-855 Cytotoxic ergosterols from paecilomyces sp. J300 Hak Cheol Kwon, Sang Deuk Zee, Sae Yun Cho, Sang Un Choi and Kang Ro Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 3β,5α-dihydroxy-6β-methoxyergosta-7,22-diene 相似度:86.2% Archives of Pharmacal Research 2006 29 548-555 Cytotoxic and COX-2 inhibitory constituents from the aerial parts ofAralia cordata Ik Soo Lee, Wen Yi Jin, Xinfeng Zhang, Tran Manh Hung and Kyung Sik Song, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . 5,6β-Dihydroxy-5α-ergosta-7,22-dien-3β-ylacetate C30H48O4 相似度:83.3% Steroids 2006 71 565-577 Regio and stereoselective oxidations of unsaturated steroidal compounds with H2O2 mediated by CH3ReO3 Francesco P. Ballistreri, Rosa Chillemi, Sebastiano Sciuto, Gaetano A. Tomaselli, Rosa M. Toscano Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . (22E,24R)-6-Acetoxy-ergosta-7,22-dien-3β,5α,6β-triol 相似度:83.3% Natural Product Communications 2009 4 1449-1454 Ring B Aromatic Steroids from an Endophytic Fungus, Colletotrichum sp. Wen Zhang , Siegfried Draeger, Barbara Schulz and Karsten Krohn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 24-methyl-7α,8α-epoxy-3β,5α,6α-trihydroxycholest-22-ene C28H46O4 相似度:82.7% Journal of Natural Products 1996 59 679-682 Isolation of Polyhydroxysteroids from the Gorgonian Acabaria undulata Jongheon Shin, Youngwan Seo, Jung-Rae Rho, and Ki Woong Cho Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . ergost-5,22-dien-3β,7β-diol C28H46O2 相似度:82.7% Chinese Traditional and Herbal Drugs 2005 36 510-511+550 牛耳朵化学成分的研究 蔡祥海,邓德山,马云保,罗晓东 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . (24R)-ergosta-7,22-diene-3,5,6-triol 相似度:82.7% Chinese Journal of Natural Medicines 2008 6 348-353 Chemical Constituents of Marine Sponge Biemna fortis Topsent HUANG Xiao-Chun; LIU Hai-Li; GUO Yue-Wei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . (22E,24R)-ergosta-7,22E-diene-3β,5α,6β-triol 相似度:82.7% Archives of Pharmacal Research 2007 30 28-33 Cytotoxic constituents isolated from the fruit bodies of Hypsizigus marmoreus Ming-Lu Xu, Jae-Young Choi, Byeong-Seon Jeong, Gao Li and Kap-Rang Lee, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . 22 E-ergosta-7,22-dien-3β,5β,6β-triol 相似度:82.7% Chinese Journal of Medicinal Chemistry 2006 16 98-101 The constituents of marine fungus 97F49 ZHANG Qing-hua, WANG Nai-li, GAO Hao, LIU Hong-wei, SONG Shan-shan, MICHIO Namikoshi, YAO Xin-sheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (22E,24R)-ergos-ta-7,22-dien-3β,5α,6β-triol 相似度:82.7% Journal of Shenyang Pharmaceutical University 2009 26 796-799 Isolation and identification of steroids from the leaves of theMagnolia sieboldii K. Koch WANG Ru-ping, WU Di, GAO Hui-yuan, SUN Bo-hang, HUANG Jian, WU Li-jun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . (22E,24R)-24-methyl-5α-cholesta-7,22-diene-3β,5,6β-triol 相似度:82.7% Journal of China Pharmaceutical University 2007 38 315-319 Chemical constituents of the aerial parts of Euphorbia sororia ZHANG Wei-ku; ZHANG Xiao-qi; YE Wen-cai; Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . 3β-acteoxy-(22E, 24R)-24-methyl-5α-cholest-7, 22-diene-5, 6β-diol C30H48O4 相似度:80% Acta Botanica Yunnanica 2002 24(4) 125-128 The Chemical Constituents from Basidiocarps of Sarcodon aspratum HUANG Yue,DONG Ze-Jun,LIU Ji-Kai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . (22E)-27-nor-24-methyl-5(-cholesta-7, 22-diene-3β, 5, 6β-triol C27H44O3 相似度:79.3% Acta Botanica Yunnanica 2002 24(4) 125-128 The Chemical Constituents from Basidiocarps of Sarcodon aspratum HUANG Yue,DONG Ze-Jun,LIU Ji-Kai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . stigmasta-7,22-diene-3β,5α,6α-triol,respectively C28H46O3 相似度:79.3% Chinese Chemical Letters 2006 17 481-484 An Abietane Diterpene and a Sterol from Fungus Phellinus igniarius Ying WANG, Su Juan WANG, Shun Yan MO, Shuai LI, Yong Chun YANG, Jian Gong SHI Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 5α,6α-Epoxy-26,27-dinorergosta-7,22-en-3β-ol C26H40O2 相似度:79.3% Steroids 2008 73 568-573 A series of new 5,6-epoxysterols from a Chinese sponge Ircinia aruensis Shihai Xu, Xiaojian Liao, Bin Du, Xulong Zhou, Qichang Huang, Chumei Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 5α,6α-Epoxyergosta-7-en-3β-ol C28H46O2 相似度:79.3% Steroids 2008 73 568-573 A series of new 5,6-epoxysterols from a Chinese sponge Ircinia aruensis Shihai Xu, Xiaojian Liao, Bin Du, Xulong Zhou, Qichang Huang, Chumei Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 5α,6α-Epoxystigmasta-7,22-en-3β-ol C29H46O2 相似度:79.3% Steroids 2008 73 568-573 A series of new 5,6-epoxysterols from a Chinese sponge Ircinia aruensis Shihai Xu, Xiaojian Liao, Bin Du, Xulong Zhou, Qichang Huang, Chumei Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . 5α,6α-Epoxystigmasta-7-en-3β-ol C29H48O2 相似度:79.3% Steroids 2008 73 568-573 A series of new 5,6-epoxysterols from a Chinese sponge Ircinia aruensis Shihai Xu, Xiaojian Liao, Bin Du, Xulong Zhou, Qichang Huang, Chumei Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . 9(11)-dehydroergosterol peroxide C28H44O3 相似度:79.3% Natural Product Sciences 2009 15 173-179 Steroids and Triterpenoid from the Fruit Bodies of Ganoderma lucidum and Their Cytotoxic Activity Lee, Joon-Seok; Lee, Mi-Kyoung; Hung, Tran-Manh; Lee, Ik-Soo; Min, Byung-Sun; Bae, Ki-Hwan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . ergost-5,7,22-trien-3-ol 相似度:79.3% Chinese Traditional and Herbal Drugs 2006 37 1297-1300 Chemical constituents of basidiomycete Coltricium nitidum DU Jian-chang; WANG Xing-na; TAN Ren-xiang; LIU Ji-kai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . stigma-7,22-dien-3β,5α,6β-triol 相似度:79.3% Chinese Traditional and Herbal Drugs 2011 42 251-254 Chemical constituents of Omphalia lapidescens XU Ming-feng, SHEN Lian-qing, WANG Kui-wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . (22E,24R)-3β,5α,6α-trihydroxyergosta-7,22-diene 相似度:79.3% Journal of Natural Medicines 2011 65 307-312 Constituents of cultivated Agaricus blazei Yumi Ueguchi ,Katsuyoshi Matsunami ,Hideaki Otsuka ,Kazunari Kondo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . ergosta-7,22-diene-3-one C28H44O 相似度:75.8% Chemistry of Natural Compounds 2009 45 124-125 COMPONENTS OF THE SCLEROTIAOF Polyporus umbellatus Weiwei Zhou, Shunxing Guo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . 5α,6α-Epoxycholesta-7,22-en-3β-ol C27H42O2 相似度:75.8% Steroids 2008 73 568-573 A series of new 5,6-epoxysterols from a Chinese sponge Ircinia aruensis Shihai Xu, Xiaojian Liao, Bin Du, Xulong Zhou, Qichang Huang, Chumei Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 5α,6α-Epoxyergosta-7,24(28)-en-3β-ol C29H46O2 相似度:75.8% Steroids 2008 73 568-573 A series of new 5,6-epoxysterols from a Chinese sponge Ircinia aruensis Shihai Xu, Xiaojian Liao, Bin Du, Xulong Zhou, Qichang Huang, Chumei Wu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . ergosta-7,22(E)-dien-3-one C28H44O 相似度:75.8% China Journal of Chinese Materia Medica 1997 22 552-553 Study on the Constituents from the Fruiting Body of Ganoderma lucidum (Fr.) Karst Chai Hui , Wang Fangsheng and Zhang Zhuoxin, Yang J unxan and Zhang Yumei Structure 13C NMR 碳谱模拟图 |
2楼2012-07-06 10:18:48