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tingting1204

金虫 (正式写手)

[求助] 微谱数据求助

碳谱数据如下,16.6,16.6,29.1,29.1,29.7,33.7,38.4,71.6,74.8,76.7。

十个碳,氘代氯仿做的谱

求解谱啊,谢谢!
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潘宪伟

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【答案】应助回帖

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tingting1204: 金币+15, ★★★★★最佳答案 2013-03-10 11:11:25
查询结果:共查到128个化合物(查询结果仅供参考)  
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1 .     1R,2R,4R-三羟基薄荷烷
C10H20O3     相似度:70%
Chinese Pharmaceutical Journal          2003          38          333-335
Study on chemical components of Epimedium leptorrhizum
HAN Bing, SHEN Tong, JU Jian hua, YANG Jun shan
Structure      13C NMR   碳谱模拟图

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2 .     (+) (1R*, 2R*, 4R*)-trihydroxy-p-menth-3-ene
C10H20O3     相似度:60%
Phytochemistry          2006          67          2103-2109
α-Pinene-type monoterpenes and other constituents from Artemisia suksdorfii
Ahmed A. Mahmoud , Ahmed A. Ahmed
Structure      13C NMR   碳谱模拟图

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3 .     (4S)-3α,10α,12,15-tetrahydroxycadinane
    相似度:60%
Phytochemistry          2002          59          479-488
Microbial transformation of cadina-4,10(15)-dien-3-one,aromadendr-1(10)-en-9-one and methyl ursolate by Mucor plumbeus ATCC 4740
Dwight O. Collins, Peter L.D. Ruddock, Jessica Chiverton de Grasse,William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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4 .     4α,7β-Dihydroxyeudesmane
C15H28O2     相似度:60%
Journal of Asian Natural Products Research          2006          8          723-731
Eudesmane-type sesquiterpenoids from the liverwort Lepidozia fauriana
H.-S. SHY and C.-L. WU
Structure      13C NMR   碳谱模拟图

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5 .     Plenoxide
C15H26O2     相似度:60%
Journal of Asian Natural Products Research          2005          7          847-852
Chemical constituents from Schisandra plena
R.-T. LI, A.-H. ZHAO, Y.-H. SHENG, Z. NA and H.-D. SUN
Structure      13C NMR   碳谱模拟图

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6 .     7-(methylsulfamyl)heptanenitrile
C8H15NS     相似度:60%
Phytochemistry          1998          49          1959-1965
Macrocyclic bisbibenzyls in cultured cells of the liverwort, Heteroscyphus planus
Kensuke Nabetα, Shinichi Ohkubo, Reiko Hozumi, Kenji Katoh
Structure      13C NMR   碳谱模拟图

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7 .     rel-(1S,2R,4R,8S)-p-menthane-1,2,8,9-tetrol
C10H20O4     相似度:60%
Chemical & Pharmaceutical Bulletin          2002          50          66-72
Water-Soluble Constituents of Caraway: Carvone Derivatives and Their Glucosides
Tetsuko Matsumura, Toru Ishikawa and Junichi Kitajima
Structure      13C NMR   碳谱模拟图

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8 .     4β-hydroxy-1-menthol
    相似度:60%
Phytochemistry          1988          27          3861-3869
Preparation of biologically active substances and animal and microbial metabolites from menthols,cineoles and kauranes
Yoshinori Asakawa,Reiko Matsuda,Motoo Tori,Toshihiro Hashimoto
Structure      13C NMR   碳谱模拟图

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9 .     2-exo-hydroxy-1,8-cineole
    相似度:60%
Phytochemistry          1988          27          3861-3869
Preparation of biologically active substances and animal and microbial metabolites from menthols,cineoles and kauranes
Yoshinori Asakawa,Reiko Matsuda,Motoo Tori,Toshihiro Hashimoto
Structure      13C NMR   碳谱模拟图

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10 .     Compound h3
    相似度:60%
Magnetic Resonance in Chemistry          2008          46          1168-1174
Structural elucidation of propargylated products of 3-substituted-1, 2, 4-triazole-5-thiols by NMR techniques (pages 1168–1174)
Preeti M. Chaudhary, Sayalee R. Chavan, M. Kavitha, Shailaja P. Maybhate, Sunita R. Deshpande, Anjali P. Likhite and P. R. Rajamohanan
Structure      13C NMR   碳谱模拟图

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11 .     (1R,3R)-(3)-1-(2-bromoethyl)-2,2-dimethyl-3-(2-oxopropyl)cyclopropane
    相似度:60%
Russian Journal of Organic Chemistry          2003          39          75-81
Approaches to Epothilone Carboanalogs Starting from Δ3-Carene
F. A. Akbutina, I. F. Sadretdinov, O. M. Kuznetsov, E. V. Vasil'eva and M. S. Miftakhov
Structure      13C NMR   碳谱模拟图

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12 .     1S,2R,4S-trihydroxyl-p-methane
    相似度:60%
Food Chemistry          2010          118          228-238
Unusual sesquiterpene lactones with a new carbon skeleton and new acetylenes from Ajania przewalskii
Ying Zhu, Li-Xia Zhang, Yan Zhao, Guo-Du Huang
Structure      13C NMR   碳谱模拟图

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13 .     (S)-(+)-diisopropyl (4-bromo-1-mesyloxybutyl)phosphonate
C11H24BrO6PS     相似度:60%
European Journal of Organic Chemistry          2011                   1870-1879
Chemoenzymatic Synthesis of Phosphonic Acid Analogues of L-Lysine, L-Proline, L-Ornithine, and L-Pipecolic Acid of 99 % ee – Assignment of Absolute Configuration to (–)-Proline
Frank Wuggenig, Anna Schweifer, Kurt Mereiter and Friedrich Hammerschmidt
Structure      13C NMR   碳谱模拟图

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14 .     (3S,4S,6R)-2,7-dimethyl-3,4,6-octanetriol
C10H22O3     相似度:60%
European Journal of Organic Chemistry          2010                   3146-3151
Highly Stereoselective Synthesis of syn-1,3-Diols through a Sequential Titanium-Mediated Aldol Reaction and LiBH4 Reduction
Judit Esteve, Sònia Matas, Miquel Pellicena, Javier Velasco, Pedro Romea, Fèlix Urpí and Mercè Font-Bardia
Structure      13C NMR   碳谱模拟图

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15 .     5-(adamant-1-ylmethoxy)pent-2-ene
C16H26O     相似度:60%
European Journal of Organic Chemistry          2010                   1258-1283
Synthesis and Evaluation of Lipophilic Aza-C-glycosides as Inhibitors of Glucosylceramide Metabolism
Tom Wennekes, Richard J. B. H. N. van den Berg, Thomas J. Boltje, Wilma E. Donker-Koopman, Bastiaan Kuijper, Gijsbert A. van der Marel, Anneke Strijland, Carlo P. Verhagen, Johannes M. F. G. Aerts and Herman S. Overkleeft
Structure      13C NMR   碳谱模拟图

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16 .     compound 9b
    相似度:60%
Australian Journal of Chemistry          1994          47          1509-1521
2,9-Dihydroxy- and 2,10-Dihydroxy-1,8-cineole. Two New Possum Urinary Metabolites
RM Carman, AC Garner and KD Klika
Structure      13C NMR   碳谱模拟图

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17 .     (1R,4R,5R,8R)-4,8-dimethyl-2-oxabicyclo[3.3.1]nonan-8-ol
C10H18O2     相似度:60%
Australian Journal of Chemistry          1995          48          1301-1309
The Synthesis of Two C4 Epimers of 4,8-Dimethyl-2-oxabicyclo[3.3.1]nonan-8-ol (1-Hydroxy-2,9-cineole)
RM Carman and AC Garner
Structure      13C NMR   碳谱模拟图

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18 .     (1R,2R,4R)-1-methyl-4-(1-methylethyl)-1,2,4-cyclohexanetriol
C10H20O3     相似度:60%
Bioscience, Biotechnology, and Biochemistry          2012          76          1904-1908
Cleavage of α-Dicarbonyl Compounds by Terpene Hydroperoxide
Ryu-ichiro NAGAMATSU, Shinya MITSUHASHI, Kengo SHIGETOMI, Makoto UBUKATA
Structure      13C NMR   碳谱模拟图

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19 .     (+)-2-endo-hydroxy-1,8-cineole
    相似度:60%
Journal of Agricultural and Food Chemistry          1989          37          222-226
Hydroxycineole: four new metabolites of 1,8-cineole in rabbits
Mitsuo Miyazawa, Hiromu Kameoka, Kunio Morinaga, Kenji Negoro, Nobuo Mura
Structure      13C NMR   碳谱模拟图

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20 .     1β,4β,7α-trihydroxyeudesmane
    相似度:60%
China Journal of Chinese Materia Medica          2012          37          3430-3433
Chemical constituents of Acorus calamus
QIAO Di; GAN Li-she; MO Jian-xia; ZHOU Chang-xin
Structure      13C NMR   碳谱模拟图

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21 .     4-pentylcyclohex-3-ene-1α,2β-diol
C11H20O2     相似度:54.5%
Journal of Asian Natural Products Research          2009          11          805-810
Two new compounds from the roots of Ligusticum chuanxiong
Xin-Liang Changa, Zhi-Yong Jianga, Yun-Bao Maa, Xue-Mei Zhanga,Karl W.K. Tsimb and Ji-Jun Chena
Structure      13C NMR   碳谱模拟图

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22 .     n-Tritetracontan-5α-ol
C43H88O     相似度:54.5%
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

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23 .     (1α,4aβ,8aα)-4a-methyldecahydronaphthalene-1,8a-diol
C11H20O2     相似度:54.5%
Australian Journal of Chemistry          1981          34          1451-1465
Carbon-13 N.M.R. studies of 5α- and 5β-Cholestan-5-ols and analogous 8a-Methyl-trans- and cis-decahydronaphthalen-4a-ols
JM Coxon and JR Gibson
Structure      13C NMR   碳谱模拟图

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24 .     (1R,4R,5R,8S,9S,13S)-caryolane-5,8,13-triol
C15H26O3     相似度:53.3%
Journal of Natural Products          2006          69(10)          1429-1434
Microbial Transformation and Butyrylcholinesterase Inhibitory Activity of (−-Caryophyllene Oxide and Its Derivatives
Muhammad Iqbal Choudhary, Zafar A. Siddiqui, Sarfraz A. Nawaz, and Atta-ur-Rahman
Structure      13C NMR   碳谱模拟图

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25 .     1β,4β,7α-trihydroxyeudesmane
C15H28O3     相似度:53.3%
China Journal of Chinese Materia Medica          2003          28          342-344
Studies on the Constituents in Rhizome of Homalomena occuta
HU Yongmei, YANG Zhonglin, YE Wencai, CHONG Qihou
Structure      13C NMR   碳谱模拟图

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26 .     (E)-7αH-germacra-4,10(14)-diene-1b,6α,11-triol
    相似度:53.3%
Phytochemistry          1999          51          529-541
Bioactive sesquiterpenes from Santolina rosmarinifolia subsp. Canescens. A conformational analysis of the germacrane ring
Alejandro F. Barrero, M. Mar Herrador, Jose F.Quilez, Ramon Alvarez-Manzaneda, Dolores Portal, Jose A. Gavin, Dolores G. Gravalos, M.S.J. Simmonds, W.M. Blaney
Structure      13C NMR   碳谱模拟图

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27 .     Prostantherol
    相似度:53.3%
Phytochemistry          1994          36          957-960
Antimicrobial sesquiterpenes from Prostanthera aff. melissifolia and P. rotundifolia
Joanne E. Dillar, Michael D. Cole, Alexander I. Gray, Simon Gibbons, Peter G. Waterman
Structure      13C NMR   碳谱模拟图

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28 .     compound 1
C15H26O     相似度:53.3%
Phytochemistry          1992          31          2153-2154
A sesquiterpene alcohol from Litsea amara
S.A. Achmad, E.L. Ghisalberti, E.H. Hakim, L. Makmur, M. Manurung
Structure      13C NMR   碳谱模拟图

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29 .     1β,4β,7β-eudesmanetriol
    相似度:53.3%
Natural Product Research          2012          26          850-858
A new sesquiterpenoid from the rhizomes of Homalomena sagittifolia
K.C. Wong, Abdul Hamid, I.M.S. Eldeen, M. Zaini Asmawi,S. Baharuddin, H.S. Abdillahi and J. Van Staden
Structure      13C NMR   碳谱模拟图

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30 .     compound 14
    相似度:53.3%
Phytochemistry          1989          28          2717-2721
Sesquiterpenoids and phenolics of Pulicaria paludosa
Arturo San Feliciano,Manuel Medarde,Marina Gordaliza,Esther Del Olmo,José M. Miguel del Corral
Structure      13C NMR   碳谱模拟图

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31 .     (+)-10β,14-dihydroxy-allo-aromadendrane
    相似度:53.3%
Magnetic Resonance in Chemistry          2003          41          1034-1037
Complete NMR assignment of (+)-10β, 14-dihydroxy-allo-aromadendrane
Lucinéia Vizzotto, Rozanna Marques Muzzi and Dênis Pires de Lima
Structure      13C NMR   碳谱模拟图
专业
2楼2013-03-10 10:36:02
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justdaoli

铁虫 (小有名气)

你上nmrshift db上面对一下,已知的基本上都能查出来,未知的还要自己解了,或者问问身边的解谱高手。
做事要讲道理,控制得住自己的心情。
3楼2013-03-11 09:54:21
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