| 查看: 646 | 回复: 1 | |||
[求助]
求助微谱数据库检索一化合物
|
|
碳谱数据输入： 12.2,17.5,19.1,19.3,20.0,21.4,23.3,26.4,26.5,28.8,29.4,30.0,31.4,34.2,36.3,36.6,38.5,38.9,42.0,43.3,45.6,46.1,50.2,50.2,55.0,70.7,126.3,165.4,202.7 模糊查询。相似度大于60% |
回复此楼» 猜你喜欢
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有13人回复
-
AI 太可怕了，写基金时，提出想法，直接生成的文字比自己想得深远，还有科学性
已经有11人回复
-
天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人）
已经有11人回复
-
表哥与省会女结婚，父母去帮带孩子被省会女气回家生重病了
已经有9人回复
-
同年申请2项不同项目，第1个项目里不写第2个项目的信息，可以吗
已经有10人回复
-
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有11人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 怎么搜索某个结构骨架的化合物是否有上市或者进入临床的药物？
已经有7人回复
- 求助：怎样在sciencefinder里检索一个化合物的衍生物有哪些？万分感谢
已经有4人回复
- [求助]哪位好人学校可以使用微谱数据库，帮我检索几个化合物的母核。谢谢！
已经有4人回复
- 查找化合物核磁共振H谱的网站
已经有5人回复
- 具有生物活性类似化合物检索
已经有6人回复
- 【求助】氢谱和碳谱检索后数据库没有该化合物，接下来QC和BC都要做一下吗？
已经有8人回复
- 【求助】从一个药品的代号怎么查找该化合物的化学结构？
已经有13人回复
- 如何查找新化合物的XRD标准谱图
已经有4人回复
- 【求助】求一个画出化合物结构式来检索文献的网站
已经有20人回复
- 【求助】怎么检索一类化合物
已经有8人回复
- 【求助】求助各位：如何查询某一类型的化合物，可以将信息检索的最全啊
已经有17人回复
kaola0916
铁杆木虫 (著名写手)
- 应助: 173 (高中生)
- 金币: 6943.8
- 散金: 35
- 红花: 11
- 帖子: 1593
- 在线: 471.9小时
- 虫号: 856177
- 注册: 2009-09-25
- 专业: 药剂学
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
love笔小芯: 金币+10, ★★★很有帮助 2012-05-21 15:44:34
感谢参与，应助指数 +1
love笔小芯: 金币+10, ★★★很有帮助 2012-05-21 15:44:34
|
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 12.2,17.5,19.1,19.3,20.0,21.4,23.3,26.4,26.5,28.8,29.4,30.0,31.4,34.2,36.3,36.6,38.5,38.9,42.0,43.3,45.6,46.1,50.2,50.2,55.0,70.7,126.3,165.4,202.7 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10844个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . 7-ketositosterol C29H48O2 相似度:96.5% Steroids 2005 70 886-895 Gram-scale chromatographic purification of β-sitosterol: Synthesis and characterization of β-sitosterol oxides Xin Zhang, Philippe Geoffroy, Michel Miesch, Diane Julien-David, Francis Raul, Dalal Aoudé-Werner, Eric Marchioni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . 3β-hydroxystigmast-5-en-7-one 相似度:96.5% China Journal of Chinese Materia Medica 2009 34 1809-1811 Steroids from Monascus purpureus metabolite SHANG Xiaoya, WANG Ruolan, YI N Suqin, LI Jinjie, JIN Zonglian Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 3β-hydroxy-stigmast-5-en-7-one 相似度:96.5% China Journal of Chinese Materia Medica 2006 31 131-133 Chemical constituents from roots of Ficus hirta LI Chun, BU Pengbin, YUE Dangkun, SUN Youfu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . 3β-hydroxystigmast-5-en-7-one C29H48O2 相似度:96.5% China Journal of Chinese Materia Medica 2001 26 762-764 Studies on the Chemical Constitutents of Asarum longerhizomatosum C. F. Liang et C. S. Yang ZHANG Shuxing, CAI Shaoqing, ZHAO Yuying Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . 7-Keto-β-sitosterol 相似度:96.5% Natural Product Sciences 2007 13 332-336 Norsesquiterpene and Steroid Constituents of Humulus japonicus Yu, Byung-Chul; Yang, Min-Cheol; Lee, Kyu-Ha; Kim, Ki-Hyun; Lee, Kang-Ro Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 7-Oxo-β-sitosterol 相似度:96.5% Korean Journal of Pharmacognosy 2008 39(3) 186-193 Phytochemical Studies on Astragalus Root (3);Triterpenoids and Sterols Jung, Hye-Sil; Lee, Eun-Ju; Lee, Je-Hyun; Kim, Ju-Sun; Kang, Sam-Sik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . stigmasta-5-en-3β-ol-7-one 相似度:96.5% China Journal of Chinese Materia Medica 2011 Vol 36,Issue 7 891-895 Chemical constituents from petroleum ether portion of Abelmoschus esculentus JIA Lu, GUO M ingm ing, LI Dong, JING Lin lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . stigmast-5-en-7-oxo-3β-ol 相似度:96.5% Chinese Traditional and Herbal Drugs 2010 41 195-197 黑老虎根化学成分的研究 王楠;李占林;华会明 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 3β-hydroxy-stigmast-5-en-7-one 相似度:96.5% Chinese Traditional and Herbal Drugs 2007 38 14-17 Chemical constituents of whole herb of Dicliptera chinensis GAO Yu-tao; YANG Xiu-wei; AI Tie-min Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . stigmast-5-ene-3β-ol-7-one 相似度:96.5% Pharmazie 2002 57 209-211 Two new steroids from Adenophora stenanthina subsp. xifengensis Zhen-Fu Hou - Yong-Qiang Tu - Yu Li Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 3β-hydroxystigmast-5-en-7-one 相似度:96.5% Archives of Pharmacal Research 2005 28 1147-1151 Antimicrobial constituents from fruits of Ailanthus altissima SWINGLE Chun-Chao Zhao, Jian-Hua Shao, Xian Li, Jing Xu and Peng Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 7-oxo-3β-stigmasterol 相似度:96.5% Chinese Pharmaceutical Journal 2008 43 897-899 Study on Steroids from the Stem of Croton caudatus Geisel.var.tomentosus Hook WANG Yuan, ZOU Zhong-mei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 豆甾烷-5-烯-3β-醇-7-酮 相似度:96.5% Chinese Journal of Medicinal Chemistry 2004 14 294-297 Isolation, identification of the chemical constituents from Bauhinia variegata L. ZHAO Yan-yan, CUI Cheng-bin, CAI Bing, SUN Qi-shi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 3-hydroxy-stigmast-5-en-7-one 相似度:96.5% Chinese Journal of Medicinal Chemistry 2007 17 170-172 Chemical constituents of Tribulus terrestris L. LÜ A-li, ZHANG Nan, MA Hong-yu, WANG Ding, DANG Quan, PEI Yue-hu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 3β-hydroxy-Stigmasta-5-en-7-one C29H48O2 相似度:96.5% Acta Scientiarum Naturalium Universitatis Sunyatseni 2001 40(2) 54-57 Steroids from the Marine Sponge Stelletta tenuis Lindgren YAN Su-jun, SU Jing-yu, ZHANG Guang-wen, WANG Yan-hong, LI Hong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 7-Oxo-β-sitosterol C29H48O2 相似度:93.1% Journal of Natural Products 2000 63 72-78 Isolation and Structures of Schleicherastatins 1-7 and Schleicheols 1 and 2 from the Teak Forest Medicinal Tree Schleichera oleosa1 George R. Pettit,Atsushi Numata, Gordon M. Cragg, Delbert L. Herald, Tamie Takada,Chika Iwamoto,Roland Riesen, Jean M. Schmidt, Dennis L. Doubek, and Animesh Goswami Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . compound 9 相似度:93.1% Chemistry of Natural Compounds 1999 35 646-649 13C NMR SPECTRA OF II-SITOSTEROL DERIVATIVES WITH OXIDIZED RINGS A AND B N. V. Kovganko, Zh. N. Kashkan,E. V. Borisov, and E. V. Batura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 7-Oxositosterol (3β-hydroxystigmast-5-en-7-one) 相似度:93.1% Pharmazie 2004 59 885-888 Terpenoids and steroids from Lappula anocarpa Yuan-Peng Jin, and Yan-Ping Shi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . stigmast-5-en-3β-ol-7-one 相似度:93.1% Pharmazie 2005 60 464-467 Steroids from Saussurea ussuriensis Jia-Tao Feng and Yan-Ping Shi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 豆甾-5-烯-3β-醇-7-酮 相似度:93.1% Journal of Shenyang Pharmaceutical University 2005 22 422-424 Studies on the chemical constituents of Malt LING Jun-hong, WANG Jin-hui, WANG Nan, LI Wen, SHA Yi, LI Xian Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 7-oxo-β-sitosterol 相似度:93.1% Natural Product Research and Development 2009 21 593-599 Chemical Constituents of Osmanthus yunnanensis MA Xiao-li;LIN Wen-bing; ZHANG Guo-lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 3β-hydroxystigmast-5-en-7-one 相似度:93.1% Journal of the Chinese Chemical Society 2004 51 437-441 New Prenylated Flavones from the Roots of Ficus beecheyana Ching-kuo Lee*, Chung-kuang Lu, Yuen-Hsiung Kuo,Jian-Zhi Chen and Guang-Zhong Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 24-methylene-27-methylcholest-5-en-3β-ol-7-one 相似度:86.2% Journal of Natural Products 2007 70 1114-1117 Stellettins L and M, Cytotoxic Isomalabaricane-Type Triterpenes, and Sterols from the Marine Sponge Stelletta tenuis Hou-wen Lin,Zeng-lei Wang,Jiu-hong Wu, Ning Shi, Hong-jun Zhang,Wan-sheng Chen,Susan L. Morris-Natschke, and An-Shen Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . 7-oxopetrosterol C29H46O2 相似度:86.2% Journal of Natural Products 2000 63 1540-1542 Two New 26,27-Cyclosterols from the Marine Sponge Strongylophora corticata Akemi Umeyama, Seiichi Ito, Ayuko Yoshigaki, and Shigenobu Arihara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 7β-hydroxystigmast-4-en-3-one C29H48O2 相似度:86.2% Natural Product Research 2006 20 327-334 Potential cancer chemopreventive agents from Arbutus unedo Esperanza J. Carcache-Blanco; Muriel Cuendet; Eun Jung Park; Bao-Ning Su; J. Fausto Rivero-Cruz; Norman R. Farnsworth; John M. Pezzuto; A. Douglas Kinghorn Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 7-oxositosterol 相似度:86.2% Journal of Natural Products 1990 Vol 53 1430 Stigmasterols from Typha latifolia Marina Della Greca, Pietro Monaco, Lucio Previtera Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . 26-methylergosta-5,24(28)-dien-7-one-3β-ol C29H46O2 相似度:82.7% Journal of Natural Products 2001 64 1489-1492 Isomalabaricane-Type Nortriterpenoids and Other Constituents of the Marine Sponge Geodia japonica Wei-Han Zhang and Chun-Tao Che Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . (24R)-3β -chlorostigmast-5-en-7-one 相似度:82.7% Chemistry of Natural Compounds 2000 36 595-598 13C NMR SPECTRA OF FUNCTIONALLY SUBSTITUTED 3 β-CHLORODERIVATIVES OF CHOLESTEROL AND β -SITOSTEROL N. V. Kovganko, Zh. N. Kashkan, and E. V. Borisov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 3β-Acetoxysitost-5-en-7-one C31H50O3 相似度:82.7% Steroids 2005 70 886-895 Gram-scale chromatographic purification of β-sitosterol: Synthesis and characterization of β-sitosterol oxides Xin Zhang, Philippe Geoffroy, Michel Miesch, Diane Julien-David, Francis Raul, Dalal Aoudé-Werner, Eric Marchioni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . 3β,25-dihydroxyergosta-5,24(28)-dien-7-one 相似度:82.7% Journal of Natural Products 1993 Vol 56 282 Marine Sterols. Side-Chain-Oxygenated Sterols, Possibly of Abiotic Origin, from the New Caledonian Sponge Stelodoryx chlorophylla Francesco de Riccardis, Luigi Minale, Maria Iorizzi, Cécil Debitus, Claude Lévi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . decortinone C29H46O2 相似度:82.7% Phytochemistry 1993 33 1189-1192 Sterols from marine green alga Codium decorticatum Viqar Uddin Ahmad, Rahman Aliya, Shaista Perveen, Mustafa Shameel Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . 3β-羟基胆甾-5-烯-7-酮 相似度:82.7% Journal of Shenyang Pharmaceutical University 2006 23 358-360 Chemical constituents of Gracilaria tenuistipitata ZHAN Yong-cheng, CHEN Lin, SUN Yi, ZHANG Nan, PEI Yue-hu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . gelliusterol C C27H40O2 相似度:79.3% Journal of Natural Products 2001 64 741-744 Gelliusterols A-D, New Acetylenic Sterols from a Sponge, Gellius Species Winklet A. Gallimore, Michelle Kelly, and Paul J. Scheuer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 3α-Acetoxy-25-hydroxycholest-4-en-6-one C29H46O4 相似度:79.3% Steroids 2004 69 291-299 New polyoxygenated steroids from the Antarctic octocoral Dasystenella acanthina Gonzalo G Mellado, Eva Zubı́a, Marı́a J Ortega, Pablo J López-González Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . 3β-hydroxystigmast-5-en-7-one C29H46O2 相似度:79.3% China Journal of Chinese Materia Medica 2006 31 1072-1075 Chemical constituents from herb of Alternanthera philoxeroides FANG Jinbo, DUNG Hongquan, ZHANG Yanwen, Yoshihisa Takaishi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . 3β-hydroxy-24aethylcholesta-5,25-dien-7-one 相似度:79.3% Phytochemistry 1994 36 171-173 Steroidal compounds from Teucrium chamaedrys subsp. Chamaedrys A. Ulubelen, G. Topcu, Ü. Kaya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . 3β,25-dihydroxycholesta-5,23-dien-7-one C27H42O3 相似度:79.3% Natural Product Research 2011 Vol. 25, No. 16 1505-1511 New cytotoxic oxygenated sterols from marine bryozoan Bugula neritina Fan Yang, Hong-Jun Zhang, Jian-Tao Chen, Hai-Feng Tang, Shu-Juan Piao, Wan-Sheng Chen and Hou-Wen Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 3β-hydroxycholesta-5-en-7-one 相似度:79.3% Natural Product Research 2010 24 1518-1522 Isolation and identification of two steroid compounds from Oviductus Ranae Yongsheng Wang; Lili Wang; Yan Hu; Lantong Zhang; Zhihan Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 7-氧基-β-谷甾醇 相似度:79.3% Chinese Traditional and Herbal Drugs 2006 37 1309-1311 三叉苦化学成分研究(Ⅱ) 刁远明;高幼衡;彭新生;张瑞芳 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . cholest-5-en-3β-ol-7-one 相似度:79.3% Chinese Traditional and Herbal Drugs 1994 25 229-231+265+278 Studies on the Chemical Constituents of the Pilose Antler of Red Deer (Cervus elaphus) Yang Xiuwei and Bai Yunpeng(Jilin Provincial College of Traditional Chinese Medicine and Materia Medica; Changchun); Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . stigmast-5-ene-3β,7α-diol 相似度:79.3% Chinese Journal of Natural Medicines 2010 8 267-269 Steroids and Phenols from Sonchus arvensis XIA Zheng-Xiang; LIANG Jing-Yu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . 3β-hydroxystigmast-5-en-7-one 相似度:79.3% Chinese Pharmaceutical Journal 2008 43 897-899 Study on Steroids from the Stem of Croton caudatus Geisel.var.tomentosus Hook WANG Yuan, ZOU Zhong-mei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . stigmast-5-en-3β,7α-diol 相似度:79.3% Natural Product Research and Development 2008 20 1000-1004 Chemical Constituents from Amoora ouangtliensis and A.stellato-squamosa YANG Shu-min;LIU Xi-kui*; WU Da-gang; ZHU Da-yuan Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . polasterol A C30H48O2 相似度:76.6% Journal of Natural Products 2000 63 1175-1177 New 24-Isopropylcholesterol and 24-Isopropenylcholesterol Sulfate from the Marine Sponge Epipolasis Species Akemi Umeyama, Kanako Adachi, Seiichi Ito, and Shigenobu Arihara Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . stigmast-4-ene-3,6-dione 相似度:75.8% Journal of Natural Products 2002 65 1857-1862 Antimicrobial Activities of Naphthazarins from Arnebia euchroma Chien-Chang Shen,Wan-Jr Syu,Shyh-Yuan Li, Chia-Hung Lin, Gum-Hee Lee, and Chang-Ming Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . schleicherastatin 5 C29H48O3 相似度:75.8% Journal of Natural Products 2000 63 72-78 Isolation and Structures of Schleicherastatins 1-7 and Schleicheols 1 and 2 from the Teak Forest Medicinal Tree Schleichera oleosa1 George R. Pettit,Atsushi Numata, Gordon M. Cragg, Delbert L. Herald, Tamie Takada,Chika Iwamoto,Roland Riesen, Jean M. Schmidt, Dennis L. Doubek, and Animesh Goswami Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . stigmasta-3,5-dien-7-one 相似度:75.8% Planta Medica 2000 66 67-69 Steroids from Harrisonia abyssinica Aliou M.Baldé,Sandra Apers,Tess E.De Bruyne,Hilde Van Den Heuve,Magda Claeys, Arnold J.Vlietinck Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . campesta-3,5-dien-7-one 相似度:75.8% Planta Medica 2000 66 67-69 Steroids from Harrisonia abyssinica Aliou M.Baldé,Sandra Apers,Tess E.De Bruyne,Hilde Van Den Heuve,Magda Claeys, Arnold J.Vlietinck Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . (24R)-24-ethylcholest-4-en-3,6-dione 相似度:75.8% Chemistry of Natural Compounds 2001 37 351-355 13C NMR SPECTRA OF 6-HYDROXIMINOSTEROIDS OF THE STIGMASTANE SERIES N. V. Kovganko and Yu. G. Chernov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . (24R)-3β -chlorostigmast-5-en-7-one oxime 相似度:75.8% Chemistry of Natural Compounds 2000 36 595-598 13C NMR SPECTRA OF FUNCTIONALLY SUBSTITUTED 3 β-CHLORODERIVATIVES OF CHOLESTEROL AND β -SITOSTEROL N. V. Kovganko, Zh. N. Kashkan, and E. V. Borisov Structure 13C NMR 碳谱模拟图 |
2楼2012-05-21 12:39:13