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22.5,22.8,22.8,29.0,33.9,41.0,100.22,102.2,162.7,171.1,182.1,209.0
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qsar_gucas: 金币+8, ★★★★★最佳答案 2015-03-17 10:08:07
1 .     trans-3-Carboxy-7,8,15-trioxadispiro[5.2.5.2]hexadecane
C14H22O5     相似度:58.3%
Bioorganic & Medicinal Chemistry Letters          2011          21          5320-5323
The activity of dispiro peroxides against Fasciola hepatica
Xiaofang Wang, Qingjie Zhao, Mireille Vargas, Yuxiang Dong, Kamaraj Sriraghavan, Jennifer Keiser, Jonathan L. Vennerstrom
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     2-(1,3-dihydroxy-but-2-enylidene)-6-methyl-3-oxo-heptanoic acid (DHEMH)
C12H18O5     相似度:58.3%
Chemical & Pharmaceutical Bulletin          2012          60(2)          178-182
Acaricidal Activity of DHEMH,Derived from Patchouli Oil,against House Dust Mite,Dermatophagoides farinae
Hai-Qiang Wu,Li Li,Jing Li,Zhen-Dan He,Zhi-Gang Liu,Qing-Qian Zeng,and Yu-Sheng Wang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     compound 3/2
C13H19N5OS     相似度:58.3%
Journal of Heterocyclic Chemistry          2003          40          813-820
On triazoles XLVII. Synthesis of 1,3a,5,6,ωc-pentaazacycloalka[e]acenaphthylenes
Gábor Berecz and József Reiter
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     3-hexanoyl-4-hydroxy-6-methyl-2H-pyran-2-one
C11H14O4     相似度:58.3%
Fitoterapia          2013          84          135-139
Synthesis and antimicrobial evaluation of pogostone and its analogues
Yu-Yang Yi, Jing-Jin He, Jun-Quan Su, Song-Zhi Kong, Ji-Yan Su, Yu-Cui Li, Si-Han huang, Chu-Wen Li, Xiao-Ping Lai, Zi-Ren Su
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     2sndo-tricyclo [5.2.1.0(2,6)] decanyl acetate
    相似度:58.3%
Magnetic Resonance in Chemistry          1992          30          298-303
NMR and theoretical investigation of dicylopentadiene derivatives
Jan M. Bakke, Jon Erik Brænden and Jostein Krane
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     4-acetyl-3-hydroxy-6-isopropyl-pyran-2-one
C10H12O4     相似度:58.3%
Asian Journal of Chemistry          2012          24          465-466
A New Monoterpene from the Fruits of Ziziphus jujuba Mill and Its Antioxidant Activity
Xinzhou Yang, Jie Wei, Shitao Xu, Xuesen Li, Zhong Li,* and Qiu-Fen Hu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     compound 4/14
C18H28N6S2     相似度:53.3%
Journal of Heterocyclic Chemistry          2002          39          703-718
On triazoles XLVI. Synthesis of 1,3a,5,6,10c-pentaazaacephenanthrylenes
Gabor Berecz, László Párkányi, József Reiter and Alajos Kálmán
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     (2S,2'S,SR)-2-isopropyl-5,5',6'-trirnethylspiro(cyclohexane-1,2'-[4H][1,3]dioxin]-4'-one
C15H24O3     相似度:53.3%
European Journal of Organic Chemistry          1991          1991          283-285
Diastereomeric 5,6-dimethyl-4H-1,3-dioxin-4-ones from (−-(1R,4S)-menthone: Synthesis and NMR analysis
Ursula Jansen, Jan Runsink and Jochen Mattay
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     p-menth-1(10)-ene-2,7-diol,7-acetate (trans)
    相似度:50%
Journal of Natural Products          1999          62          549-553
Muurolane Sesquiterpenes from Illicium tsangii
Koon-Sin Ngo, Wing-Tak Wong, and Geoffrey D. Brown
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
10 .     p-menth-1(10)-ene-2,7-diol,7-acetate (cis)
    相似度:50%
Journal of Natural Products          1999          62          549-553
Muurolane Sesquiterpenes from Illicium tsangii
Koon-Sin Ngo, Wing-Tak Wong, and Geoffrey D. Brown
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
11 .     compound 4/6
C16H26N6S     相似度:50%
Journal of Heterocyclic Chemistry          2002          39          703-718
On triazoles XLVI. Synthesis of 1,3a,5,6,10c-pentaazaacephenanthrylenes
Gabor Berecz, László Párkányi, József Reiter and Alajos Kálmán
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
12 .     compound 4/21
C19H30N6OS     相似度:50%
Journal of Heterocyclic Chemistry          2002          39          703-718
On triazoles XLVI. Synthesis of 1,3a,5,6,10c-pentaazaacephenanthrylenes
Gabor Berecz, László Párkányi, József Reiter and Alajos Kálmán
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
13 .     compound 23
C10H16O2     相似度:50%
Heterocycles          2007          72          517-528
The Stereochemistry of Electrolysis and Samarium Diiodide-Induced Cyclization between Carbonyl and Enone System in Inter-and Intramolecular Coupling
Masakazu Sono, Tsutomu Shoji, Tatsuya Tamaki, Satoko Kishi, and Motoo Tori
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
14 .     5-(2-methyl-5-oxocyclopent-2-enyl)-2-pentanone
C11H16O2     相似度:50%
Heterocycles          2007          72          517-528
The Stereochemistry of Electrolysis and Samarium Diiodide-Induced Cyclization between Carbonyl and Enone System in Inter-and Intramolecular Coupling
Masakazu Sono, Tsutomu Shoji, Tatsuya Tamaki, Satoko Kishi, and Motoo Tori
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
15 .     2,8-Dimethyl-1,7-dioxaspiro[5,6]dodecane
C12H22O2     相似度:50%
Organic & Biomolecular Chemistry          2007          5          1167-1169
Efficient synthesis of brussalexin A, a remarkable phytoalexin from Brussels sprouts
M. Soledade C. Pedras, Qing-An Zheng and Mohammed G. Sarwar
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
16 .     2-(Hydroxymethyl)-N,3-dipropylaziridine-1-carboxamide
C10H20N2O2     相似度:50%
Tetrahedron          2012          68          3980-3987
Studies on the ring opening reactions of 3-oxa-1-azabicyclo[3.1.0]hexan-2-ones. Synthesis of aminomethyl oxazolidinones and aziridinyl ureas
Greggory M. Wells, Travis Dudding, Lee Belding, Jeffery A. Frick, Abhijit Nayek, Junfeng Huang, Steven J. Katz, Stephen C. Bergmeier
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
17 .     4-hydroxy-6-methyl-3-(4-methylpentanoyl)-2H-pyran-2-one
C12H16O4     相似度:50%
Fitoterapia          2013          84          135-139
Synthesis and antimicrobial evaluation of pogostone and its analogues
Yu-Yang Yi, Jing-Jin He, Jun-Quan Su, Song-Zhi Kong, Ji-Yan Su, Yu-Cui Li, Si-Han huang, Chu-Wen Li, Xiao-Ping Lai, Zi-Ren Su
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
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