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杨大松至尊木虫 (文坛精英)
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[求助]
求助微谱数据，谢谢
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刚求助了一次觉得可能含有丙酮溶剂想看下除去丙酮后的结果，碳谱数据如下： 29.3,55.6,109,2,114.6,123.7,126.1,126.4,146.6,148.6,152.6,193.1 辛苦各位了，非常感谢 |
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急急急。。。。求助微谱数据（50%相似度就OK了），不胜感谢！
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2楼2012-06-23 22:35:48
【答案】应助回帖
★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
karl2100: 金币+1, 谢谢回复！ 2012-06-24 00:59:49
杨大松: 金币+5, ★★★★★最佳答案 2012-06-24 08:28:09
感谢参与，应助指数 +1
karl2100: 金币+1, 谢谢回复！ 2012-06-24 00:59:49
杨大松: 金币+5, ★★★★★最佳答案 2012-06-24 08:28:09
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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 29.3,55.6,109,2,114.6,123.7,126.1,126.4,146.6,148.6,152.6,193.1 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220个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . ferulyl aldehyde 相似度:83.3% Chemical & Pharmaceutical Bulletin 1982 30 1525-1527 BALANOPHONIN, A NEW NEO-LIGNAN FROM BALANOPHORA JAPONICA MAKINO Mitsumasa Haruna,Tomoko Koube,Kazuo Ito and Hiroyuki Murata Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . coniferaldehyde C10H10O3 相似度:83.3% Phytochemistry 1999 50 781-785 Coniferaldehyde derivatives from tissue culture of Artemisia annua and Tanacetum parthenium Lai-King Sy, Geoffrey D. Brown Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . 3-(4-Hydroxy-3-methoxyphenyl)-propenal 相似度:83.3% Chemistry of Natural Compounds 2012 48 168-169 CHEMICAL CONSTITUENTS OF Eria spicata Liqin Wang,Mingmei Wu,Jian Huang,Jihua Wang,Yegao Chen,and Benlin Yin1 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . coniferyl aldehyde C10H10O3 相似度:83.3% Chinese Traditional and Herbal Drugs 2006 37 652-655 Phenolic components from Dendrobium nobile ZHANG Xue; GAO Hao; WANG Nai-li; YAO Xin-sheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . coniferyl aldehyde 相似度:83.3% Chinese Journal of Natural Medicines 2007 5 193-196 Chemical Constituents from Inula cappa XIE Hong-Gang; ZHANG Hong-Wu; ZHANG Jiang; XU Li-Zhen; ZOU Zhong-Mei Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . Coniferaldehyde 相似度:83.3% Chinese Journal of Natural Medicines 2008 6 116-119 Chemical Constituents of Clematis montana SONG Cheng-Zhi; WANG Yue-Hu; HUA Yan; WU Zhang-Kang; DU Zhi-Zhi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 3'-Methoxy-4'-hydroxy-trans-cinnamaldehyde 相似度:83.3% Archives of Pharmacal Research 2001 24 194-197 Phytochemical constituents of Artemisia japonica ssp. Littoricola Hak Cheol Kwon and Kang Ro Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 3'-Methoxy-4'-hydroxy-trans-cinnamaldehyde C10H10O3 相似度:83.3% Archives of Pharmacal Research 2001 24 312-315 Phytochemical constituents of Artemisia stolonifera Hak Cheol Kwon, Sang Un Choi and Kang Ro Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . 3-甲氧基-4羟基-桂皮醛 C10H10O3 相似度:83.3% Chinese Journal of Medicinal Chemistry 2005 15 103-107 Studies on the chemical constituents of Bulbophyllum odoratissimum Lindl. LIU Dai-lin, PANG Fa-gen, ZHANG Jia-xin, WANG Nai-li, YAO Xin-sheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . Coniferaldehyde C10H10O3 相似度:83.3% Molecules 2011 16 10157-10167 Antioxidant Phenolic Compounds of Cassava (Manihot esculenta) from Hainan Bo Yi, Lifei Hu, Wenli Mei, Kaibing Zhou, Hui Wang, Ying Luo, Xiaoyi Wei and Haofu Dai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . ferulaldehyde C10H10O3 相似度:83.3% Natural Product Research and Development 2009 21 733-736 Chemical Constituents from the Aerial Parts of Daphne bholua CHEN Hu-hai;ZHANG Wei-dong;SU Juan; CHEN Yu-qi; SHEN Yun-heng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . coniferaldehyde 相似度:83.3% Chinese Traditional and Herbal Drugs 2011 42 244-246 Chemical constituents in fruit of Melia azedarach (II) CHONG Xiao-tao, SHI Yan-peng, CHENG Zhan-li, YAO Qing-qiang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . ferulaldehyde 相似度:75% Journal of Shenyang Pharmaceutical University 2009 26 530-535 Chemical constituents of Nux Prinsepiae(II) LI Ning, LIHong-xuan, MENG Da-li, LI Xian Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . 3-(3,4-dimethoxyphenyl)-2-propenal 相似度:66.6% Journal of Natural Products 2001 64 1278-1281 Anti-AIDS Agents. 48.1 Anti-HIV Activity of Moronic Acid Derivatives and the New Melliferone-Related Triterpenoid Isolated from Brazilian Propolis Junko Ito,Fang-Rong Chang, Hui-Kang Wang, Yong Kun Park, Masaharu Ikegaki, Nicole Kilgore,and Kuo-Hsiung Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 4-hydroxy-3-methoxycinnamaldehyde 相似度:66.6% Phytochemistry 1998 47 117-119 Isoflavonoids and a pterocarpan from Gliricidia sepium H. M. T. B. Herath, R. S. Dassanayake, A. M. A. Priyadarshani, Susila De Silva, G. P. Wannigama, Joanne Jamie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . (E)-3-(3,4-Dimethoxyphenyl)acrylaldehyde C11H12O3 相似度:66.6% Bioorganic & Medicinal Chemistry 2012 20 3635-3651 Synthesis of methoxylated goniothalamin, aza-goniothalamin and γ-pyrones and their in vitro evaluation against human cancer cells Original Research Article Rosimeire Coura Barcelos, Julio Cezar Pastre, Vanessa Caixeta, Débora Barbosa Vendramini-Costa, João Ernesto de Carvalho, Ronaldo Aloise Pilli Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 2-methyl-2-phenylcoumaran-5-ol C15H14O2 相似度:61.5% Heterocycles 2002 57 1049-1055 Synthesis of Coumaran-5-ols — New Model Compounds for Bioantioxidants Uta Schädel and Wolf D. Habicher* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . 4-hydroxy-3-methoxybenzaldehyde 4-phenyl-3-thiosemicarbazone 相似度:61.5% Bioorganic & Medicinal Chemistry 2008 16 446-456 Synthesis, anti-Toxoplasma gondii and antimicrobial activities of benzaldehyde 4-phenyl-3-thiosemicarbazones and 2-[(phenylmethylene)hydrazono]-4-oxo-3-phenyl-5-thiazolidineacetic acids Thiago M. de Aquino, André P. Liesen, Rosa E.A. da Silva, Vânia T. Lima, Cristiane S. Carvalho, Antônio R. de Faria, Janete M. de Araújo, José G. de Lima, Antonio J. Alves, Edésio J.T. de Melo, Alexandre J.S. Góes Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . octacosan-1,28-dioldiferulate and triacontan-1,30-dioldiferulate 相似度:61.5% Journal of Asian Natural Products Research 2011 13 1128-1134 Phenol esters and other constituents from the stem barks of Stereospermum acuminatissimum Sylvain Valère Tanemossu Sob, Hippolyte Kamdem Wabo, Chun-Ping Tang, Pierre Tane, Bonaventure Tchaleu Ngadjui & Yang Ye Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . Hexacosyl-(E)-ferulate C36H62O4 相似度:61.5% Natural Product Communications 2010 5 919-922 Formadienoate-A and B: Two New Long Chained FeruloylEsters from Clerodendrum formicarum (Lamiaceae)of Cameroon Muhammad Shaiq Ali *, Zeeshan Ahmed, Muhammad Imran Ali and Joseph Ngoupayo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 8-Methoxywutaipyranol A C15H18O4 相似度:60% Chemistry & Biodiversity 2011 Vol.8 880-886 Secondary Metabolites from the Root Wood of Zanthoxylum wutaiense and Their Antitubercular Activity Hung-Yi Huang, Tsutomu Ishikawa, Chien-Fang Peng, Si Chen, and Ih-Sheng Chen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . Ferulic acid 相似度:58.3% Chemistry of Natural Compounds 2006 42 567-570 NEW THIAZINEDIONES AND OTHER COMPONENTS FROM Xanthium strumarium Ting Han, Huiliang Li, Qiaoyan Zhang,Hanchen Zheng, and Luping Qin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . ferulic acid 相似度:58.3% China Journal of Chinese Materia Medica 2005 30 761-763 Study on chemical constituents in herbs of Anoectochilus roxburghii II HE Chun-nian, WANG Chun-lan, GUO Shun-xing, YANG Jun-shan, XIAO Pei-gen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . gallic acid methyl ether 相似度:58.3% Natural Product Sciences 1998 4 245-252 Unique Phenolic Sulphate Conjugates from the Flowers of Tamarix amplexicaulis Souleman, Ahmed A.M.; Barakat, Heba H.; Hussein, Sahar A.M.; El-Mousallamy, Amani M.D.; Nawwar, Mahmoud A.M. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . isoferulaldehyde 相似度:58.3% Phytochemistry 1987 26 1837-1838 Niloticol,a phenolic glyceride and two phenolic aldehydes from the roots of Tamarix nilotica Heba H. Barakat,Mahmoud A.M. Nawwar,Joachim Buddrus,Michael Linscheid Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 3-{[(Z)-2-amino-1,2-dicyanovinyl]amino}methyleneamino-4-methoxybenzoic acid 相似度:58.3% Journal of Heterocyclic Chemistry 2007 44 13-19 A facile regioselective synthesis of (5-amino-4-cyano-1h-imidazol-1-yl) benzoic acids Síria A. Barros,M. Sameiro T. Gonçalves,Ana M. F. Oliveira-Campos and Fernanda R. P. Proença Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . coniferylaldehyde 相似度:58.3% China Journal of Chinese Materia Medica 2010 35 2281-2284 Chemical constituents from rhizomes of Illicium henryi LIU Jifeng; ZHANG Xuemei; SHI Yao; JIANG Zhiyong; MA Yunbao; CHEN Jijun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . erythrinasinate B 相似度:58.3% Chinese Traditional and Herbal Drugs 2005 36 975-978 Chemical constituents from stem bark of Erythrina variegata LI Xiao-li; WANG Nai-li); YAO Xin-sheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 3,4-二甲氧基肉桂酸 相似度:58.3% Chinese Traditional and Herbal Drugs 2002 33 405-406 贵州蜂胶中的有机酸成分研究 贺峥嵘,潘卫东,卢玉振,张长庚,袁牧 Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . Methyl ferulate 相似度:58.3% Archives of Pharmacal Research 2007 30 1471-1475 Two new phenolic constituents ofHumulus japonicus and their cytotoxicity testIn Vitro Byung Chul Yu, Min Cheol Yang, Kyu Ha Lee, Ki Hyun Kim and Sang Un Choi, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . Methyl trans-ferulate 相似度:58.3% Archives of Pharmacal Research 2008 31 573-578 Heterocyclic compounds from Chrysanthemum coronarium L. and their inhibitory activity on hACAT-1, hACAT-2, and LDL-oxidation Myoung-Chong Song, Hye-Joung Yang, Tae-Sook Jeong, Kyong-Tai Kim and Nam-In Baek Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . compound 4 C11H12O4 相似度:58.3% Tetrahedron Letters 2001 42 8323-8327 Effect of solvent and hydrogen during selective hydrogenation Shojiro Maki, Yasuhiro Harada, Ryo Matsui, Makiko Okawa, Takashi Hirano, Haruki Niwa, Megumi Koizumi, Yoshinori Nishiki, Tsuneto Furuta, Hiroshi Inoue, Chiaki Iwakura Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . compound 8 C11H12O4 相似度:58.3% Tetrahedron Letters 2003 44 3717-3721 Pd black deposited on polypropylene sheet as a highly selective catalyst for hydrogenation of alkenes Shojiro Maki, Makiko Okawa, Toshimichi Makii, Takashi Hirano, Haruki Niwa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 阿魏酸乙酯 相似度:58.3% Chinese Pharmaceutical Journal 2006 41 1613-1615 Study on Chemical Constituents in Tuber of Harpagophytum procumbens D.C. QI Jin, ZHOU Jia-hong, CHEN Lu, CHEN Ji-jun, YU Bo-yang *, QIU Sheng-xiang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . polycarpine 相似度:58.3% Chinese Pharmaceutical Journal 2010 45 332-334 Antimicrobial Chemical Constituents from Three Marine Sponges XU Wen-hui, LIANG Qian, LIANG Zong-suo, LI Xing-cong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . feruli acid 相似度:58.3% Chinese Journal of Medicinal Chemistry 2009 19 212-213 Chemical constituents ofLeontopodium leontopodioid (Wild.) Beauv LI LI, ZHANG Guo-gang, PAN Chun-yuan, ZUO Tian-tian, WANG Sheng-chao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . methy lisoferulate 相似度:58.3% Journal of China Pharmaceutical University 2000 31 171-173 Chemical Study on Male Inflorescence of Populus Canadensis Moench. WANG Xin; WANG Hong; WANG Qiang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 2-allyl-3,4-dimethoxybenzyl alcohol C12H16O3 相似度:58.3% Heterocycles 2002 57 2021-2033 A Synthesis of Substituted 3,6-Dihydro-1H-benzo[c]oxocines via Claisen Rearrangement and Ring-closing Metathesis Eng-Chi Wang,* Chin-Cheng Wang, Ming-Kun Hsu, and Keng-Shiang Huang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 3,4-dimethoxycinnamicacid C11H12O 相似度:58.3% Natural Product Research and Development 2002 14(6) 1-3 STUDY ON THE CHEMICAL CONSTITUENTS OF LAGOTIS YUNNANESIS YANG Xiao-dong MEI Shuang-xi; YANG Rong PU Jian-xin ZHAO Jing-feng LI Liang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . trans-ferulic acid 相似度:58.3% Natural Product Research and Development 1998 10(4) 19-25 STUDY ON THE CHEMICAL CONSTITUENTS OF PLEUROSPERMUM HOOKERI VAR. THOMSONII Wang Tianzhi; Li Tao Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . O-methylcorypalline 相似度:58.3% Natural Product Research and Development 1993 5(2) 30-33 STUDY ON COMPERHENSIVE UTILIZATION OF ALKALOIDS OF MENISPERMUM DAURICUM DC. Ⅱ. ISOLATION AND IDENTIFICATION OF SIDE ALKALOIDS Pan Xiping; Li Xuejung; Chen Yewen Chen Fener Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . N-(6-methoxy-1,3-benzothiazol-2-yl)-4-nitrobenzenesulfonamide C14H11N3O5S2 相似度:58.3% Bioorganic & Medicinal Chemistry 2009 17 3332-3341 Synthesis, in vitro and computational studies of protein tyrosine phosphatase 1B inhibition of a small library of 2-arylsulfonylaminobenzothiazoles with antihyperglycemic activity Gabriel Navarrete-Vazquez, Paolo Paoli, Ismael León-Rivera, Rafael Villalobos-Molina, Jose Luis Medina-Franco, Rolffy Ortiz-Andrade, Samuel Estrada-Soto, Guido Camici, Daniel Diaz-Coutiño, Itzell Gallardo-Ortiz, Karina Martinez-Mayorga, Hermenegilda Moren Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . (E)-N'-(3,4-dimethoxyphenylmethylidene)-3-methylf-uroxan-4-carbohydrazide C13H14N4O5 相似度:58.3% Bioorganic & Medicinal Chemistry 2012 20 2158-2171 Discovery of new orally effective analgesic and anti-inflammatory hybrid furoxanyl N-acylhydrazone derivatives Paola Hernández, Mauricio Cabrera, María Laura Lavaggi, Laura Celano, Inés Tiscornia, Thiago Rodrigues da Costa, Leonor Thomson, Mariela Bollati-Fogolín, Ana Luisa P. Miranda, Lidia M. Lima, Eliezer J. Barreiro, Mercedes González, Hugo Cerecetto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . (E)-N'-(3-hydroxy-4-methoxyphenylmethylidene)-3-methylfuroxan-4-carbohydrazide C12H12N4O5 相似度:58.3% Bioorganic & Medicinal Chemistry 2012 20 2158-2171 Discovery of new orally effective analgesic and anti-inflammatory hybrid furoxanyl N-acylhydrazone derivatives Paola Hernández, Mauricio Cabrera, María Laura Lavaggi, Laura Celano, Inés Tiscornia, Thiago Rodrigues da Costa, Leonor Thomson, Mariela Bollati-Fogolín, Ana Luisa P. Miranda, Lidia M. Lima, Eliezer J. Barreiro, Mercedes González, Hugo Cerecetto Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . erythrinasinate C38H66O4 相似度:57.1% Records of Natural Products 2008 2 100-106 Japodic acid, A Novel Aliphatic Acid from Jatropha podagrica Hook Olapeju O. Aiyelaagbe and James B. Gloer Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . loddigesiinol D C17H16O7 相似度:57.1% Chemical & Pharmaceutical Bulletin 2010 58 628-633 New Phenanthrenes and Stilbenes from Dendrobium loddigesii Masanobu Ito, Keiichi Matsuzaki, Jue Wang, Akihiro Daikonya, Nai-Li Wang, Xin-Sheng Yao and Susumu Kitanaka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . octacosyl trans-ferulate 相似度:53.8% Fitoterapia 2007 78 72-73 Ferulic acid esters from Euphorbia hylonoma Han-Li Ruan, Xue-Feng Zhou, Yong-Hui Zhang, Hui-Fang Pi,Ji-Zhou Wu, Han-Dong Sun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . 2-(4-methoxyphenyl)quinazolin-4(3H)-one C15H12N2O2 相似度:53.8% Heterocycles 2008 75 2809-2815 A New Efficient Method for the Three-Component Synthesis of 4(3H)-Quinazolinones Mostafa Baghbanzadeh, Minoo Dabiri, and Peyman Salehi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . (Z)-3-furan-2-ylmethylene-1,3-dihydroindole-2-thione C13H9NOS 相似度:53.8% Heterocycles 2004 63 2785-2795 Preparation of Benzothiopyrano[2,3-b]indoles by the Reaction of 1,3-Dihydroindole-2-thiones with Certain Dienophiles Sukanta Kamila and Ed Biehl* Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . methyl (E)-feruloylglycolate C13H14O6 相似度:53.8% Journal of Natural Medicines 2007 61 472-473 Constituents of the roots of Ligularia dentata Hara Hitomi Baba, Yasunori Yaoita and Masao Kikuchi Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
3楼2012-06-23 22:39:26
杨大松
至尊木虫 (文坛精英)
- 应助: 243 (大学生)
- 金币: 23878.3
- 散金: 3
- 红花: 46
- 帖子: 10466
- 在线: 831.8小时
- 虫号: 1190374
- 注册: 2011-01-15
- 专业: 化学生物学与生物有机化学
4楼2012-06-24 08:28:43