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【答案】应助回帖
感谢参与，应助指数 +1
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
14.4,15.5,15.6,16.3,16.8,16.9,17.4,17.6,18.4,22.5,23.5,23.6,23.9,24.3,23.4,25.3,25.5,26.2,26.7,28.0,28.1,28.7,28.7,29.2,29.5,29.6,31.7,32.1,33.3,35.5,36.8,36.9,38.5,38.6,41.6,41.7,42.2,45.3,46.9,47.0,47.2,47.8,54.0,55.5,55.6,66.1,70.1,70.2,73.0,74.3,77.2,88.3,106.7,106.7,174.5
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1230个化合物(查询结果仅供参考)
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1 . ligustrin B
相似度:70.9%
Phytochemistry 1997 46 977-979
Acylated triterpenoids from Ligustrum ovalifolium
Koichi Machida, Toshio Yamaguchi, Yoshiko Kamiya, Masao Kikuchi
Structure 13C NMR 碳谱模拟图
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2 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,12α-dihydroxy-5β-cholan-24-oate
C51H81NO6 相似度:65.4%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
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3 . 3-O-Carboxymaleinate of α,β-amyrin
相似度:65.4%
Bioorganic & Medicinal Chemistry 2011 19 1268-1276
Amyrin esters induce cell death by apoptosis in HL-60 leukemia cells
Francisco W. A. Barros, Paulo N. Bandeira, Daisy J. B. Lima, Assuero S. Meira, Silvana S. de Farias,Maria Rose J. R. Albuquerque, Hélcio S. dos Santos, Telma L. G. Lemos, Manoel Odorico de Morais,Letícia Veras Costa-Lotufo, Claudia do Pessoa
Structure 13C NMR 碳谱模拟图
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4 . 3-O-Carboxyglutarate of α,β-amyrin
相似度:65.4%
Bioorganic & Medicinal Chemistry 2011 19 1268-1276
Amyrin esters induce cell death by apoptosis in HL-60 leukemia cells
Francisco W. A. Barros, Paulo N. Bandeira, Daisy J. B. Lima, Assuero S. Meira, Silvana S. de Farias,Maria Rose J. R. Albuquerque, Hélcio S. dos Santos, Telma L. G. Lemos, Manoel Odorico de Morais,Letícia Veras Costa-Lotufo, Claudia do Pessoa
Structure 13C NMR 碳谱模拟图
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5 . 12,6'-dioctanoyl ginsenoside Rh2 (D-Rh2)
相似度:65.4%
Bioorganic & Medicinal Chemistry Letters 2012 22 1082-1085
Structural modification of ginsenoside Rh2 by fatty acid esterification and its detoxification property in antitumor
Gong-Qing Wei, Yi-Nan Zheng, Wei Li, Wen-Cong Liu, Ting Lin, Wei-Yun Zhang, Hai-Feng Chen,Jin-Zhang Zeng, Xiao-Kun Zhang, Quan-Cheng Chen
Structure 13C NMR 碳谱模拟图
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6 . lupeol and β-amyrin
相似度:65%
Natural Product Research 2012 26 66-71
Isolation and chromatographic analysis of bioactive triterpenoids from the bark extract of Cariniana domestica (Mart) Miers
Vanessa Janovik, Aline Augusti Boligon, Janaína Kieling Frohlich, Thiago Guilherme Schwanz, Tarciele Venturini Pozzebon, Sydney Hartz Alves & Margareth Linde Athayde
Structure 13C NMR 碳谱模拟图
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7 . pleofungin A
C55H98N8O14 相似度:63.6%
The Journal of Antibiotics 2007 60 143-152
Pleofungins, Novel Inositol Phosphorylceramide Synthase Inhibitors, from Phoma sp. SANK 13899 FREE
Azusa Aoyagi, Tatsuya Yano, Shiho Kozuma and Toshio Takatsu
Structure 13C NMR 碳谱模拟图
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8 . pleofungin D
C54H96N8O14 相似度:63.6%
The Journal of Antibiotics 2007 60 143-152
Pleofungins, Novel Inositol Phosphorylceramide Synthase Inhibitors, from Phoma sp. SANK 13899 FREE
Azusa Aoyagi, Tatsuya Yano, Shiho Kozuma and Toshio Takatsu
Structure 13C NMR 碳谱模拟图
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9 . 3-O-[α-L-rhamnopyranosyl-(1→3)-(n-butyl-β-D-glucopyranosiduronate)]-28-O-β-D-glucopyranosyl oleanolic acid
C52H84O18 相似度:63.6%
Journal of Integrative Plant Biology 2005 47 368-374
Glycosides from Roots of Cyathula officinalis Kuan
Rong ZHOU, Bo-Gang LI and Guo-Lin ZHANG*
Structure 13C NMR 碳谱模拟图
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10 . ligustrin A
相似度:63.1%
Phytochemistry 1997 46 977-979
Acylated triterpenoids from Ligustrum ovalifolium
Koichi Machida, Toshio Yamaguchi, Yoshiko Kamiya, Masao Kikuchi
Structure 13C NMR 碳谱模拟图
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11 . 3-O-[α-L-arabinopyranosyl-(1→4)-β-D-glucuronopyranosyl]-28-O-[β-D-glucopyranosyl]-oleanolic acid
C47H74O18 相似度:62.7%
Phytochemistry 2004 65 741-750
Acetylated glucuronide triterpene bidesmosidic saponins from Symplocos glomerata
Pierre Waffo-Téguo, Laurence Voutquenne, Odile Thoison, Vincent Dumontet,Van Hung Nguyen, Catherine Lavaud
Structure 13C NMR 碳谱模拟图
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12 . crellastatin I
C58H88O11S 相似度:62.0%
Tetrahedron 1999 55 13749-13756
Isolation and structural elucidation of the crellastatins I-M: cytotoxic bis-steroid derivatives from the vanuatu marine sponge Crella sp
Clelia Giannini, Angela Zampella, Cecile Debitus, Jean-Louis Menou, Christos Roussakis, Maria Valeria D'Auria
Structure 13C NMR 碳谱模拟图
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13 . Caryocaroside II-1
相似度:61.8%
Journal of Natural Products 2006 69(2) 196-205
Triterpenoid Saponins from the Fruits of Caryocar glabrum
Abdulmagid Alabdul Magid, Laurence Voutquenne, Christian Moretti, Christophe Long, and Catherine Lavaud
Structure 13C NMR 碳谱模拟图
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14 . calendulaglycoside C 6'-On-butyl ester
C52H84O19 相似度:61.8%
Journal of Natural Products 2006 69(12) 1692-1696
Anti-Inflammatory, Anti-Tumor-Promoting, and Cytotoxic Activities of Constituents of Marigold (Calendula officinalis) Flowers
Motohiko Ukiya, Toshihiro Akihisa, Ken Yasukawa, Harukuni Tokuda, Takashi Suzuki, and Yumiko Kimura
Structure 13C NMR 碳谱模拟图
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15 . ilexoside VIII
相似度:61.8%
Phytochemistry 1995 39 185-189
Mazusaponins I–IV, triterpene saponins from Mazus miquelii
Emiko Yaguchi, Toshio Miyase, Akira Ueno
Structure 13C NMR 碳谱模拟图
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16 . taibaienoside V
C52H86O14 相似度:61.8%
Chinese Pharmaceutical Journal 1997 32 78-80
Two new oleanolic acid saponins from the root bark of Aralia taibaiensis
Tang Haifeng(Tang HF), Yi Yanghua(Yi YH), Wang Zhongzhuang(Wang ZZ), et al
Structure 13C NMR 碳谱模拟图
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17 . cyclosporin O
相似度:61.8%
The Journal of Organic Chemistry 2000 65 2951-2958
Total Synthesis of Cyclosporin O Both in Solution and in the Solid Phase Using Novel Thiazolium-, Immonium-, and Pyridinium-Type Coupling Reagents: BEMT, BDMP, and BEP1
Peng Li and Jie Cheng Xu
Structure 13C NMR 碳谱模拟图
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18 . pleofungin C
C54H96N8O14 相似度:61.8%
The Journal of Antibiotics 2007 60 143-152
Pleofungins, Novel Inositol Phosphorylceramide Synthase Inhibitors, from Phoma sp. SANK 13899 FREE
Azusa Aoyagi, Tatsuya Yano, Shiho Kozuma and Toshio Takatsu
Structure 13C NMR 碳谱模拟图
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19 . Sanguidiogenin E
C60H90O13 相似度:61.6%
Tetrahedron 2004 60 11647-11654
Four new dimeric triterpene glucosides from Sanguisorba officinalis
Xin Liu, Bingfeng Shi, Biao Yu
Structure 13C NMR 碳谱模拟图
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20 . 3-O-α-Larabinopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→2)]-α-L-arabinopyranosyl-oleanolic acid
C46H74O16 相似度:61.4%
Phytochemistry 2003 781-789
Oleanolic glycosides from Pometia ridleyi
Laurence Voutquenne, Pauline Guinot, Odile Thoison,Thierry Sevenet, Catherine Lavaud
Structure 13C NMR 碳谱模拟图 |
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反应很差，大量原料没有反应
5+3