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listentome

新虫 (初入文坛)

[求助] 2014.9.26微谱数据求助 已有1人参与

13C NMR (101 MHz, MeOD) δ 138.26, 135.41, 129.34, 120.71, 80.35, 78.02, 73.00, 72.03, 54.80, 46.10, 37.93, 36.64, 35.66, 33.07, 31.88, 30.78, 28.13, 27.48, 26.35, 24.35, 23.70, 23.62, 21.67, 18.91, 18.30, 16.69.
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阳阳小样儿

金虫 (正式写手)

不好意思,不是这个,您的数据按从小到大排
小样儿
3楼2014-09-26 11:54:01
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阳阳小样儿

金虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
查询结果:共查到8个化合物(查询结果仅供参考)  
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1 .     n-butyl(5-formylfuran-2-yl)methyl succinate
C14H18O6     相似度:60%
Natural Product Research          2009          23          1355-1362
Total synthesis of the natural succinate derivative of 5-(hydroxymethyl)furfural isolated from the Noni fruit (Morinda citrifolia)
Héctor Quiroz-Florentino; Abraham García; Eleuterio Burgueño-Tapia; Joaquín Tamariz
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

2 .     5-(hydroxymethyl)furfural
C10H10O6     相似度:60%
Natural Product Research          2009          23          1355-1362
Total synthesis of the natural succinate derivative of 5-(hydroxymethyl)furfural isolated from the Noni fruit (Morinda citrifolia)
Héctor Quiroz-Florentino; Abraham García; Eleuterio Burgueño-Tapia; Joaquín Tamariz
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

3 .     2-hydroxy-6-pyrogalloloxy-β-picoline
C12H11O4N     相似度:53.3%
Pharmazie          2003          58          762-763
A new picoline alkaloid from the pseudobulb of Desmotrichum fimbriatum Blume
Ali, A. - Mustafa, A. - Abdullah, S. T. - Hammid, H. - Ali, M.
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

4 .     [N-(2-mercapto-2-methylpropyl)-N-(4-methoxyphenyl)-aminato][2-(mercaptomethyl)pyridinato]oxorhenium(V)
C17H21N2O2ReS2     相似度:53.3%
Journal of Medicinal Chemistry          1994          37          928-937
Homodimeric and Heterodimeric Bis(amino thiol) Oxometal Complexes with Rhenium(V) and Technetium(V). Control of Heterodimeric Complex Formation and an Approach to Metal Complexes that Mimic Steroid Hormones
Dae Yoon Chi, James P. O'Neil, Carolyn J. Anderson, Michael J. Welch, John A. Katzenellenbogen
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

5 .     Asfural
C11H11NO5     相似度:53.3%
Journal of Agricultural and Food Chemistry          2013          61          9155-9159
Isolation, Structural Elucidation, and Biological Evaluation of a 5-Hydroxymethyl-2-furfural Derivative, Asfural, from Enzyme-Treated Asparagus Extract
Tomohiro Ito, Atsuya Sato, Tomoko Ono, Kazunori Goto, Takahiro Maeda, Jun Takanari, Hiroshi Nishioka, Kenichi Komatsu, and Hideyuki Matsuura
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

6 .     1-n-butyl-4-(5'-formyl-2'-furanyl)methyl succinate
    相似度:53.3%
Chinese Joumal of Experimental Traditional Medical Fomulae          2013          19          97-100
Isolation and Identification of Chemical Constituents from Alpinia oxyphylla
SHI Shao-huai, ZHANG Chen-ning, LIU Ai-jing, LI Huan, BI Kai-shun, JIA Ying
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

7 .     compound 23
C16H16O3     相似度:50%
Journal of Chemical Ecology          2004          30          867-879
Bioactivity of Phenanthrenes from Juncus acutus on Selenastrum capricornutum
Marina Dellagreca, Marina Isidori, Margherita Lavorgna, Pietro Monaco and Lucio Previtera, et al.
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

8 .     2,7-dihydroxy-5-hydroxymethyl-1-methyl-9,10-dihydrophenathre
C16H16O3     相似度:50%
Journal of Chemical Ecology          2004          30          867-879
Bioactivity of Phenanthrenes from Juncus acutus on Selenastrum capricornutum
Marina Dellagreca, Marina Isidori, Margherita Lavorgna, Pietro Monaco, Lucio Previtera, Armando Zarrelli
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
小样儿
2楼2014-09-26 11:50:36
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阳阳小样儿

金虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★
listentome: 金币+8, ★★★★★最佳答案 2014-09-26 12:14:29
查询结果:共查到6709个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     24-deacetyl alisol O
    相似度:76.6%
Chinese Journal of Natural Medicines          2008          6          109-111
A New Protostane Triterpenoid from the Rhizome of Alisma orientale
ZHOU Ai-Cun; ZHANG Chao-Feng; ZHANG Mian
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

2 .     11-anhydro-alisol F
C30H46O4     相似度:73.3%
Journal of Asian Natural Products Research          2008          10          487-490
Two new triterpenes from the rhizomes of Alisma orientalis
Xue-Yan Hu, Yuan-Qiang Guo, Wen-Yuan Gao, Tie-Jun Zhang and Hai-Xia Chen
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

3 .     11,25-anhydro-alisol F
C30H44O3     相似度:70%
Chinese Chemical Letters          2008          19          438-440
A new triterpenoid from Alisma orientalis
Xue Yan Hu, Yuan Qiang Guo, Wen Yuan Gao, Hai Xia Chen, Tie Jun Zhang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

4 .     (24R)-28,29-dinor-cycloartane-3β,24,25-triol
C28H48O3     相似度:67.8%
Journal of Natural Products          2007          70          1616-1619
Nortriterpenoids from Chukrasia tabularis var. Welutina
Chuan-Rui Zhang, Sheng-Ping Yang, Qiao Zhu, Shang-Gao Liao, Yan Wu, and Jian-Min Yue
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

5 .     baloic acid
C32H48O5     相似度:66.6%
Journal of Natural Products          2006          69          1092-1094
Triterpenes from Natural and Transformed Roots of Plocama pendula
Braulio M. Fraga, Carmen E. Daz, and Nayra Quintana
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

6 .     1-(((3S,8R,9S,10S,13S,14S)-3-(Methoxymethoxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1Hcyclopenta[a]phenanthren-17-yl)ethynyl)cyclohexanol
C29H42O3     相似度:66.6%
Steroids          2010          75          936-943
Pd(PPh3)4/AgOAc-catalyzed coupling of 17-steroidal triflates and alkynes: Highly efficient synthesis of D-ring unsaturated 17-alkynylsteroids
Qian Sun, Chenggang Jiang, Hangxian Xu, Zonglei Zhang, Lanhai Liu, Cunde Wang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

7 .     9,11-secochlolest-3β,11-diol
C27H50O2     相似度:66.6%
Steroids          2010          75          834-847
Synthesis of cytotoxic novel 9,11-secosterol analogs: Structure/activity studies
Boonsong Kongkathip, Anuch Hasakunpaisarn, Suthinee Boonananwong, Ngampong Kongkathip
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

8 .     6β-Methyl-5α-cholestane-3β,5-diol 3-acetate
C30H52O3     相似度:65.5%
Organic Magnetic Resonance          1977          9          439-464
13C n.m.r. spectra of steroids —a survey and commentary
J. W. Blunt and J. B. Stothers
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

9 .     compound 7
    相似度:65.5%
Australian Journal of Chemistry          1975          28          1017-1021
Carbon-13 N.M.R. spectra of 6β-Substituted-5α-cholestane-3β,5-diols: γ- and δ-effects
JW Blunt
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

10 .     stigmasterol
    相似度:65.5%
Journal of Inner Mongolia University          2009          40          239-242
Study on Chemical Component of Effective Fraction of Sendeng-4
DONG Yu, CHEN Chao-jun, LI Shu-ming, ZHAO Guo-ding
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

11 .     oleanolic acid
    相似度:65.5%
Chinese Joumal of Experimental Traditional Medical Fomulae          2011          17          118-120
Research on Chemical Constituents of Ethyl Acetate Fraction from Li Nationality Medicine Elaeagnus gonyanthes Caulis et Folium
WEI Na, WANG Yong, LI Pei-pei, LI Hong-fu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

12 .     lepadin H
C26H45NO3     相似度:65.3%
Journal of Natural Products          2002          65          454-457
Lepadins F-H, New cis-Decahydroquinoline Alkaloids from the Australian Ascidian Aplidium tabascum
Rohan A. Davis, Anthony R. Carroll, and Ronald J. Quinn
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

13 .     β-Sitosterol
    相似度:65.3%
Korean Journal of Pharmacognosy          2007          38(1)          67-70
Isolation of Isoprenoidal Compounds from the Stems of Acer tegmentosum Max
Hur, Jong-Moon; Jun, Mi-Ra; Yang, Eun-Ju; Choi, Sun-Ha; Park, Jong-Cheol; Song, Kyung-Sik
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

14 .     3β,20R-bis(acetoxy)-5β-12α-hydroxy-pregn-14-ene
C25H38O5     相似度:65.3%
Steroids          2011          76          1166-1175
Norrish–Prins reaction as a key step in the synthesis of 14β-hydroxy-5α (or 5β or Δ5,6)-pregnane derivatives
Philippe Geoffroy, Blandine Ressault, Eric Marchioni, Michel Miesch
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

15 .     8-acetoxy-sarain-1
    相似度:65.3%
Bulletin des Sociétés Chimiques Belges          1986          95          783-800
Sarains: A New Class of Alkaloids from the Marine Sponge Reniera Sarai
Guido Cimino, Salvatore De Stefano, Gennaro Scognamiglio, Guido Sodano and Enrico Trivellone
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
小样儿
4楼2014-09-26 12:10:29
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