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xzhfood荣誉版主 (著名写手)
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[求助]
查化合物微谱数据 50金币
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化合物1 核磁仪器：400M, 溶剂：DMSO 碳谱数据：61.7,70.8,71.1,72.4,72.8,73.5,75.3,77.2,77.3,92.7,97.3 化合物2 核磁仪器：400M, 溶剂：CDCl3 碳谱数据：13.7,13.8,15.3,16.6,17.2,18.1,18.9,19.0,19.2,19.5,20.3,21.5,23.0,23.4,23.6,25.8,25.9,26.0,27.7,28.2,29.2,29.7,29.8,30.4,30.7,31.6,32.4,32.5,33.1,33.7,34.8,36.8,37.4,38.4,39.0,39.3,40.9,41.3,41.4,41.5,45.9,46.5,46.8,47.6,55.5,62.8,65.6,69.5,71.3,73.7,73.8,75.4,82.7,86.9,89.9,95.2,98.2,102.4,105.0,107.2,122.6,123.2,143.7,147.7,169.7 化合物3 核磁仪器：400M, 溶剂：CDCl3 碳谱数据：9.43,13.1,15.0,16.6,18.8,20.0,22.8,23.0,23.1,24.6,25.4,27.5,29.6,30.4,30.5,31.9,32.4,33.5,35.7,37.6,38.9,39.5,41.3,41.6,45.9,46.3,47.3,47.4,54.7,64.3,71.6,73.8,75.6,76.2,81.8,104.2,106.2,121.8,122.3,143.5,144.1,148.5,168.7,177.3,178.0,206.3 化合物4 核磁仪器：400M, 溶剂：Acetone 碳谱数据：8.47,15.0,16.6,20.3,22.8,22.9,23.2,25.3,26.2,27.5,30.4,32.0,32.4,33.5,35.7,37.9,39.6,41.3,41.7,45.8,46.9,47.4,55.2,64.0,69.8,72.6,75.7,87.4,114.6,121.9,144.0,177.9,205.9 化合物5 核磁仪器：400M, 溶剂：CDCl3 碳谱数据：14.1,22.7,24.9,27.1,27.2,29.1,29.1,29.2,29.3,29.3,29.4,29.5,29.5,29.6,29.7,31.9,34.1,65.0,68.5,71.8,129.7,130.0,173.9,173.9,174.0 [ Last edited by xzhfood on 2013-2-21 at 11:43 ] |
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潘宪伟
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感谢参与，应助指数 +1
karl2100: 金币+1, 谢谢！ 2013-02-22 00:31:42
感谢参与，应助指数 +1
karl2100: 金币+1, 谢谢！ 2013-02-22 00:31:42
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第一个 查询结果：共查到501个化合物(查询结果仅供参考) 1 . glucose C6H12O6 相似度:91.6% Chinese Journal of Medicinal Chemistry 2011 21 220-225 Chemical constituents from dried fruits of Rubus chingii XIAO Hong-ming, ZU Ling-bo, LI Shi-ping, WANG Kai-jin, LI Ning* Structure 13C NMR 碳谱模拟图 2 . compound 11 相似度:75% Chinese Traditional and Herbal Drugs 2010 41 689-692 Chemical constituents from roots of Tinospora sagittata var. yunnanensis CHENG Chun-mei; DAI Yun; HUANG Xiang-zhong; ZHU Yun; DAI Jian-hui; LIU Xiao-fang; WANG Jiong Structure 13C NMR 碳谱模拟图 3 . β-D-galactopyransoyl-(3→3)-O-β-D-galactopyranose 相似度:75% Natural Product Research and Development 2008 20 447-449 Chemical Constituents from Glochidion puberum ZHANG Zhen;LIU Guang-ming; REN Yan-li; HE Hong-ping; HAO Xiao-jiang Structure 13C NMR 碳谱模拟图 4 . BMY-28251 C12H24N2O10 相似度:75% The Journal of Antibiotics 1986 39 1001-1003 3, 3'-NEOTREHALOSADIAMINE (BMY-28251), A NEW AMINOSUGAR ANTIBIOTIC TAKASHI TSUNO, CHIHARU IKEDA, KEI-ICHI NUMATA, KOJI TOMITA, MASATAKA KONISHI, HIROSHI KAWAGUCHI Structure 13C NMR 碳谱模拟图 5 . glu-mannitol 相似度:75% Journal of Natural Products 2011 74 1477-1483 Iridoid and Phenylethanoid Glucosides from Veronica lavaudiana Rilka M. Taskova, Tetsuo Kokubun, Ken G. Ryan, Phil J. Garnock-Jones, and Søren R. Jensen Structure 13C NMR 碳谱模拟图 6 . 3β-O-α-L-arabinopyranosyl-lup-20(29)-ene-28-O-β-D-glucopyranosyl ester C41H66O12 相似度:72.7% Planta Medica 2004 70 960-966 Cytotoxic Saponins from Schefflera rotundifolia Alessandra Braca,Giuseppina Autore, Francesco De Simone,Stefania Marzocco, Ivano Morelli,Fabio Venturella ,Nunziatina De Tommasi Structure 13C NMR 碳谱模拟图 7 . Mixture of α- and β-D-Galactose 相似度:72.7% Phytochemistry 1998 49 1791-1795 Seven imidazole alkaloids from Lepidium sativum Ulrich H. Maier, Heidrun Gundlach, Meinhart H. Zenk Structure 13C NMR 碳谱模拟图 8 . O-α-D-galactopyranosyl-(1f3)-4-O-methyl-D-myo-inositol 相似度:69.2% Journal of Natural Products 1997 60 749-751 Structure of Galactosylononitol Andreas Richter and Thomas Peterbauer Structure 13C NMR 碳谱模拟图 9 . acteoside 相似度:66.6% Chemical & Pharmaceutical Bulletin 1990 38 2953-2955 Studies on the Constituents of Osmanthus Species. VI. : Structures of Phenylpropanoid Glycosides from the Leaves of Osmanthus asiaticus NAKAI Masataka SUGIYAMA and Masao KIKUCHI Structure 13C NMR 碳谱模拟图 10 . phillyraeoidin B C75H56O48 相似度:66.6% Chemical & Pharmaceutical Bulletin 1989 37 2030-2036 Tannins and Related Compounds. LXXXIII. : Isolation and Structures of Hydrolyzable Tannins, Phillyraeoidins A-E from Quercus phillyraeoides Gen-ichiro NONAKA,Shinji NAKAYAMA and Itsuo NISHIOKA Structure 13C NMR 碳谱模拟图 |
4楼2013-02-21 18:38:52
潘宪伟
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第二个 查询结果：共查到791个化合物(查询结果仅供参考) 1 . 2',3'-O-diacetylsalsoloside C C51H78O20 相似度:75.3% 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 2 . 3'-O-acetylsalsoloside C C49H76O19 相似度:70.7% 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 3 . 2'-O-acetylsalsoloside C C49H76O19 相似度:70.7% 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 4 . 3-O-{[β-D-glucopyranosyl (1→2)] [α-L-arabinofuranosyl-(1→4)]-[3-O-acetyl]-β-D-glucuronopyranosyl}-28-O-[β-D-glucopyranosyl]-oleanolic acid C55H86O24 相似度:69.6% 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 5 . 3-O-β-D-apiofuranosyl-(1→3)-α-L-arabinopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→2)]-β-D-glucopyranosyl-oleanolic acid C52H84O21 相似度:69.2% 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 6 . 3-O-[α-L-arabinopyranosyl-(1→4)-[2-O-acetyl]-β-D-glucuronopyranosyl] -28-O- [β-D-glucopyranosyl]-oleanolic acid C49H76O19 相似度:67.6% 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 7 . symplocososide D C66H106O23 相似度:66.6% Journal of Natural Products 2004 67 1969-1974 Cytotoxic Triterpenoid Saponins from Symplocos chinensis Meijun Tang, Diandian Shen, Youcai Hu, Song Gao, and Shishan Yu Structure 13C NMR 碳谱模拟图 8 . 3-O-β-D-xylopyranosyl-(1→3)-O-α-L-rhamnopyranosyl-(1→2)-O-α-L-arabinopyranoside 28-O-α-L-rhamnopyranosyl-(1→4)-O-6-O-acetyl-β-D-glucopyranosyl-(1→6)-O-β-D-glucopyranosyl ester 相似度:66.6% Chemistry of Natural Compounds 2006 42 49-54 TRITERPENE GLYCOSIDES FROM Kalopanax septemlobum.VI. GLYCOSIDES FROM LEAVES OF Kalopanax septemlobum VAR. typicum INTRODUCED TO CRIMEA D. A. Panov, V. I. Grishkovets, V. V. Kachala, and A. S. Shashkov Structure 13C NMR 碳谱模拟图 9 . ST-K1 相似度:66.1% Chemistry of Natural Compounds 2004 40 35-39 TRITERPENE GLYCOSIDES OF Tetrapanax papyriferum.IV. ACIDIC GLYCOSIDES FROM STEM BARK OF T. papyriferum V. S. Strigunov, V. I. Grishkovets, A. S. Shashkov V. V. Kachala, and N. V. Tolkacheva Structure 13C NMR 碳谱模拟图 10 . 3-O- {[β-D- xylopyranosyl-(1→2)]-[β-D-xylopyranosyl-(1→4)]-[3-O-acetyl]-β-D- glucuronopyranosyl}-28-O- [β-D-glucopyranosyl]-oleanolic acid C54H84O23 相似度:65.6% 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 |
5楼2013-02-21 18:39:59
潘宪伟
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第三个 查询结果：共查到2393个化合物(查询结果仅供参考) 1 . acid-3-O-β-D-glucopyranosyl-(1-3)-β-D-glucuronopyranoside-6'-O-butyl ester C46H74O15 相似度:73.9% Chinese Journal of Natural Medicines 2011 9 17-21 A New Triterpenoid Saponin from the Leaves of Aralia elata WANG Qiu-Hong, ZHANG Jian, MA Xu, YE Xu-Yan, YANG Bing-You, XIA Yong-Gang, KUANG Hai-Xue Structure 13C NMR 碳谱模拟图 2 . 3-O-(6'-butyl ester)-β-D-glucuropyrano-syl-oleanolic acid-28-O-β-D-glucopyranoside C46H74O14 相似度:71.7% Acta Botanica Yunnanica 2003 25(5) 613-619 A New Cucurbitacin and A New Oleanolic Acid Glycosides from Hemsleya gigantha CHEN Ya,QIU Ming-Hua, GU Kun, CHEN Jian-Chao Structure 13C NMR 碳谱模拟图 3 . taibaienoside IV C46H74O14 相似度:71.7% 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 4 . oleanolic acid-3-O-β-D-glucopyrano side(1→2)-β-D-glucorunopyranosy-6-O-butylester 相似度:71.7% Journal of Shenyang Pharmaceutical University 2010 27 626-629 Chemical constituents of rhizome of Panacis Majoris SONG Xiao-mei, LIU Yue, CAI Bao-chang Structure 13C NMR 碳谱模拟图 5 . 3-O[2',4'-di-O-(β-D-glucopyranosyl)-β-D-glucopyranosyl]hederagenin 相似度:70.2% Phytochemistry 1994 36 753-759 Molluscicidal saponins from a zimbabwean strain of Phytolacca dodecandra Susanne T. Thiilborg, S. Brøgger Christensen, Claus Cornett, Carl E. Olsen, Else Lemmich Structure 13C NMR 碳谱模拟图 6 . 3-O-[β-D-Xylopyranosyl-(1→ 3)-β-D-galactopyranosyl-(1→ 3)-β-glucuronopyranosyl]oleanolic Acid C47H74O18 相似度:70.2% Helvetica Chimica Acta 2010 93 1058-1066 Oleanane Saponins and Glycerogalactolipids from the Leaves of Guapira graciliflora Juliana A. Severi, Orlando Fertig, Inken Plitzko, Wagner Vilegas, Matthias Hamburger and Olivier Potterat Structure 13C NMR 碳谱模拟图 7 . compound 9 相似度:69.5% Chemical & Pharmaceutical Bulletin 1994 42 101-104 Triterpene Glycosides from Thalictri Herba. II Hitoshi YOSHIMITU,Kazuhiro HAYASHI,Miki KUMABE and Toshihiro NOHARA Structure 13C NMR 碳谱模拟图 8 . gypsogenin 3-O-β-D-galactopyranosyl-(1→2)-methyl-β-D-glucopyranuronate C43H66O15 相似度:69.5% Chemical & Pharmaceutical Bulletin 1991 39 1185-1188 Structures of Two New Fibrinolytic Saponins from the Seed of Luffa cylindrica ROEM. Kazuko YOSHIKAWA,Shigenobu ARIHARA,Jen-Der WANG,Takao NARUI and Toru OKUYAMA Structure 13C NMR 碳谱模拟图 9 . compound 8 相似度:69.5% Chemical & Pharmaceutical Bulletin 1989 37 895-900 Studies on the Constituents of Luffa operculata COGN. II. : Isolation and Structure Elucidation of Saponins in the Herb Hikaru OKABE,Tsuneatsu NAGAO,Shizuko HACHIYAMA and Tatsuo YAMAUCHI Structure 13C NMR 碳谱模拟图 10 . dipsacoside B 相似度:69.5% Acta Bot. Boreal. -Occident. Sin. 2007 27 2314-2319 Four Triterpenoid Saponins from Aster souliei GUO Shou-jun, YANG Yong-li, MA Rui-jun, XU Qiu-sheng, LAO Pei-jie Structure 13C NMR 碳谱模拟图 |
6楼2013-02-21 18:41:13
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10楼2013-02-22 09:58:45
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2楼2013-02-21 14:02:53
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3楼2013-02-21 17:44:48
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第四个 查询结果：共查到4882个化合物(查询结果仅供参考) 1 . gypsogenin 相似度:84.8% 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 2 . compound 5 相似度:84.8% Tetrahedron 1994 50 12811-12820 Triterpenoid saponins from Dianthus chinensis Kazuo Koike, Hongyu Li, Zhonghua Jia, Hitomi Muraoka, Satoko Fukui, Masako Inoue, Taichi Ohmoto Structure 13C NMR 碳谱模拟图 3 . compound 6 相似度:84.8% Tetrahedron 1994 50 12811-12820 Triterpenoid saponins from Dianthus chinensis Kazuo Koike, Hongyu Li, Zhonghua Jia, Hitomi Muraoka, Satoko Fukui, Masako Inoue, Taichi Ohmoto Structure 13C NMR 碳谱模拟图 4 . 3-O-acetyl-11-oxo-18β-oleanolic acid 相似度:81.8% 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 5 . compound 9 相似度:78.7% Chemical & Pharmaceutical Bulletin 1989 37 895-900 Studies on the Constituents of Luffa operculata COGN. II. : Isolation and Structure Elucidation of Saponins in the Herb Hikaru OKABE,Tsuneatsu NAGAO,Shizuko HACHIYAMA and Tatsuo YAMAUCHI Structure 13C NMR 碳谱模拟图 6 . gypsogenin methyl ester acetate 相似度:75.7% Planta Medica 1989 55 544-547 Sapogenins from Melandriumfirmum Ilye Soon Chang,Young Bong Han,Won Sick Woo,Sam Sik Kang,Hermann Lotter, and Hildebert Wagner Structure 13C NMR 碳谱模拟图 7 . compound 9 C30H46O4 相似度:75.7% Chemical & Pharmaceutical Bulletin 1985 33 464-478 Studies on the Constituents of Momordica cochinchinensis SPRENG. I. Isolation and Characterization of the Seed Saponins, Momordica Sapponins I and II MASAYO IWAMOTO,HIKARU OKABE,TATSUO YAMAUCHI,MASAKO TANAKA,YOSHIE ROKUTANI,SHUJI HARA,KUNIHIDE MIHASHI and RYUICHI HIGUCHI Structure 13C NMR 碳谱模拟图 8 . compound 10 C33H50O5 相似度:75.7% Chemical & Pharmaceutical Bulletin 1985 33 464-478 Studies on the Constituents of Momordica cochinchinensis SPRENG. I. Isolation and Characterization of the Seed Saponins, Momordica Sapponins I and II MASAYO IWAMOTO,HIKARU OKABE,TATSUO YAMAUCHI,MASAKO TANAKA,YOSHIE ROKUTANI,SHUJI HARA,KUNIHIDE MIHASHI and RYUICHI HIGUCHI Structure 13C NMR 碳谱模拟图 9 . gypsogenin 相似度:75.7% Journal of Asian Natural Products Research 2000 2 187-193 Three New Triterpenoid Saponins from the Seeds of Vaccaria segetalis SHENG-MIN SANG, AI-NA LAO , ZHONG-LIANG CHEN,JUN UZAWA and YASUO FUJlMOTO Structure 13C NMR 碳谱模拟图 10 . quillaic acid 相似度:75.7% China Journal of Chinese Materia Medica 2006 31 1640-1641 丝石竹三萜成分的研究 罗建光, 张 洁, 孔令义 Structure 13C NMR 碳谱模拟图 |
7楼2013-02-21 18:42:27
潘宪伟
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xzhfood: 金币+20, ★★★很有帮助 2013-02-21 18:44:51
xzhfood: 金币+20, ★★★很有帮助 2013-02-21 18:44:51
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第五个 查询结果：共查到966个化合物(查询结果仅供参考) 1 . drechslerol-B C40H76O3 相似度:84% Phytochemistry 1989 28 2089-2091 Drechslerol-B,A host-selective phytotoxin produced by Drechslera maydis R.S. Shukla,K. Agrawal,R.S. Thakur,A. Husain Structure 13C NMR 碳谱模拟图 2 . n-Octacos-9-enyl propionate C31H60O2 相似度:80% Chinese Journal of Chemistry 2007 25 843-848 New Aliphatic Alcohol and Ester Constituents from Rice Hulls of Oryza sativa ILL-Min Chung, Mohd Ali, Se-Chul Chun, Cheng-Wu Jin, Dong-Ha Cho, Seung-Beom Hong and Ateeque Ahmad Structure 13C NMR 碳谱模拟图 3 . 9-octadecenoic acid-2',3'-dihydroxypropyl ester C21H40O4 相似度:76% Natural Product Research 2008 22 1350-1354 Two new fatty esters from Rhazya stricta roots (Apocynanaceae) Atta-Ur-Rahman; Nighat Sultana; Durre Shahwar; Muhammed Iqbal Choudhary Structure 13C NMR 碳谱模拟图 4 . compound 相似度:76% Journal of Natural Products 1993 Vol 56 1898 Isoprenoid Polyunsaturated Fatty Acids from Freshwater Sponges Tomáš Řezanka, Valery M. Dembitsky Structure 13C NMR 碳谱模拟图 5 . compound 相似度:76% Journal of Natural Products 1993 Vol 56 1898 Isoprenoid Polyunsaturated Fatty Acids from Freshwater Sponges Tomáš Řezanka, Valery M. Dembitsky Structure 13C NMR 碳谱模拟图 6 . (Z)-10-Eicosenoic acid 相似度:76% Bioorganic & Medicinal Chemistry 2011 19 567-579 Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones Abraham A. Wube, Antje Hüfner, Christina Thomaschitz, Martina Blunder, Manfred Kollroser,Rudolf Bauer, Franz Bucar Structure 13C NMR 碳谱模拟图 7 . (Z)-10-Heneicosenoic acid 相似度:76% Bioorganic & Medicinal Chemistry 2011 19 567-579 Design, synthesis and antimycobacterial activities of 1-methyl-2-alkenyl-4(1H)-quinolones Abraham A. Wube, Antje Hüfner, Christina Thomaschitz, Martina Blunder, Manfred Kollroser,Rudolf Bauer, Franz Bucar Structure 13C NMR 碳谱模拟图 8 . 2-Amino-2-ethylpropane-1,3-diyl Dioleate C41H77O4N 相似度:76% Bulletin of the Korean Chemical Society 2012 33 344-346 A New Dioleate Compound from Callistemon lanceolatus Ju Hee Kim, Jung Eun Kim, Hee Jung Bu, Nam Ho Lee Structure 13C NMR 碳谱模拟图 9 . 1,3-diacetyl-2-oleoylglycerol C25H44O6 相似度:76% Pharmacy and Pharmacology Communications 1999 5 311-313 First Total Synthesis of 1,3-Diacetyl- and -Dibutyroyl-2-oleoylglycerol, Previously Isolated From Natural Products J. GUILLON, B. LELONG, J.-P. RIOULT and M. ROBBA Structure 13C NMR 碳谱模拟图 10 . (Z)-2-(Oleoyloxy)propane-1,3-diyl dibutyrate C29H52O6 相似度:76% Tetrahedron 2012 68 5422-5428 Application of chemoenzymatic hydrolysis in the synthesis of 2-monoacylglycerols Kyle M. Whitten, Alexandros Makriyannis, Subramanian K. Vadivel Structure 13C NMR 碳谱模拟图 |
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