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swaucq

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[求助] 微谱求助化合物结构

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【答案】应助回帖

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swaucq: 金币+20, ★★★★★最佳答案 2013-08-31 22:06:16
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

溶剂选项:
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15个化合物(查询结果仅供参考)
1 .     microsphaerophthalide F
C13H16O6     相似度:92.3%
Tetrahedron          2012          68          10005-10010
Modiolin and phthalide derivatives from the endophytic fungus Microsphaeropsis arundinis PSU-G18
Ubonta Sommart, Vatcharin Rukachaisirikul, Kwanruthai Tadpetch, Yaowapa Sukpondma, Souwalak Phongpaichit, Nongporn Hutadilok-Towatana, Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图
2 .     microsphaerophthalide D
C14H18O6     相似度:85.7%
Tetrahedron          2012          68          10005-10010
Modiolin and phthalide derivatives from the endophytic fungus Microsphaeropsis arundinis PSU-G18
Ubonta Sommart, Vatcharin Rukachaisirikul, Kwanruthai Tadpetch, Yaowapa Sukpondma, Souwalak Phongpaichit, Nongporn Hutadilok-Towatana, Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图
3 .     3-hydroxy-2',5-dimethoxybiphenyl
C14H14O3     相似度:57.1%
Journal of Natural Products          2010          73          1628-1631
Anti-inflammatory Biphenyls and Dibenzofurans from Rhaphiolepis indica
Chu-Hung Lin, Hsun-Shuo Chang, Chang-Hui Liao, Tai-Hsin Ou, Ih-Sheng Chen, and Ian-Lih Tsai
Structure      13C NMR   碳谱模拟图
4 .     4-Acetoxy-7-methoxycoumarin
C12H10O5     相似度:53.8%
Molecules          2007          12          1316-1324
Design and Synthesis of a Coumarin-based Acidichromic Colorant
Shih-Lun Lin, Pei-Yu Kuo and Ding-Yah Yang
Structure      13C NMR   碳谱模拟图
5 .     Schinicoumarin
C12H12O5     相似度:53.8%
Phytochemistry          1995          39          1091-1097
Coumarins and anti-platelet aggregation constituents from Zanthoxylum schinifolium
Ih-Sheng Chen, Yuh-Chwen Lin, Ian-Lih Tsai, Che-Ming Teng, Feng-Nien Ko, Tsutomu Ishikawa, Hisashi Ishii
Structure      13C NMR   碳谱模拟图
6 .     3-(4-bromofuran-2-yl)quinuclidin-3-ol oxalate
C11H14BrNO2     相似度:53.8%
Journal of Medicinal Chemistry          1997          40          3804-3819
Antimuscarinic 3-(2-Furanyl)quinuclidin-2-ene Derivatives:  Synthesis and Structure−Activity Relationships
Gary Johansson, Staffan Sundquist, Gunnar Nordvall, Björn M. Nilsson, Magnus Brisander, Lisbeth Nilvebrant, and Uli Hacksell
Structure      13C NMR   碳谱模拟图
7 .     Monosporascol A
C13H9LiO5     相似度:53.8%
Journal of Agricultural and Food Chemistry          2004          52          4109-4112
Isolation and Identification of Hexaketides from a Pigmented Monosporascus cannonballus Isolate
Robert D. Stipanovic, Jiuxu Zhang, Benny D. Bruton, and Michael H. Wheeler
Structure      13C NMR   碳谱模拟图
8 .     microsphaerophthalides G
C15H18O6     相似度:53.3%
Tetrahedron          2012          68          10005-10010
Modiolin and phthalide derivatives from the endophytic fungus Microsphaeropsis arundinis PSU-G18
Ubonta Sommart, Vatcharin Rukachaisirikul, Kwanruthai Tadpetch, Yaowapa Sukpondma, Souwalak Phongpaichit, Nongporn Hutadilok-Towatana, Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图
9 .     1-(2-hydroxy-4-methoxyphenylamino)-1-deoxy-β-glucoside 1,2-carbamate
C14H17NO8     相似度:50%
Journal of Natural Products          2006          69          34-37
Glucosides from MBOA and BOA Detoxification by Zea mays and Portulaca oleracea
Diana Hofmann, Mona Knop, Huang Hao, Lothar Hennig, Dieter Sicker, and Margot Schulz
Structure      13C NMR   碳谱模拟图
10 .     1,3,8-Trihydroxy-7-methoxyxanthone
    相似度:50%
Chemistry of Natural Compounds          2009          45          733-734
XANTHONES FROM Comastoma pedunlulatum
Li Tang, Jian Cui, Si-xiang Zhou
Structure      13C NMR   碳谱模拟图
11 .     1,3,8-trihydroxy-7-methoxyxanthone
    相似度:50%
Journal of Natural Products          1990          Vol 53          1463
Synthesis of Minor Xanthones from Garcinia mangostana
Graham. J. Bennett, Hiok-Huang Lee, Liak-Phong Lee
Structure      13C NMR   碳谱模拟图
12 .     microsphaerophthalide E
C15H20O6     相似度:50%
Tetrahedron          2012          68          10005-10010
Modiolin and phthalide derivatives from the endophytic fungus Microsphaeropsis arundinis PSU-G18
Ubonta Sommart, Vatcharin Rukachaisirikul, Kwanruthai Tadpetch, Yaowapa Sukpondma, Souwalak Phongpaichit, Nongporn Hutadilok-Towatana, Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图
13 .     6-(trans-1-buten-3-only)-7-methoxycoumarin
C14H12O4     相似度:50%
Natural Product Research and Development          2012          24          1161-1164
Chemical Constituents of the Plant Micromelum falcatum(Lour.) Tan.
HUANG Yong-zhong; ZHANG Si; HUANG Sheng; LUO Xiong-ming; WANG Jian-hua
Structure      13C NMR   碳谱模拟图
14 .     Eethyl 2-(tert-butylimino)-6-(4-nitropheny)l-2H-pyran-4-carboxylate
C18H20N2O7     相似度:50%
Journal of Heterocyclic Chemistry          2012          49          402-404
Solvent-free synthesis of 2H-pyrans: One-pot reactions of dithiocarbamates, alkyl propiolates, and isocyanides
Zinatossadat Hossaini, Faramarz Rostami-Charatib, Rahimeh Hajinasiria, Hojatollah Jafaryanc and Mehdi Shahrakid
Structure      13C NMR   碳谱模拟图
15 .     1,3,8-trihydroxyl-7-methoxyxanthone
    相似度:50%
Chinese Traditional and Herbal Drugs          2013          44          942-949
Chemical constituents from Swertia mussotii
LUO Cui-ting, MAO Shuang-shuang, CHEN He-ru, LI Yu-lin
Structure      13C NMR   碳谱模拟图
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