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追索晨曦

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[求助] 求助 微谱数据 !!急!!!

C谱数据如下
13.04,16.96,19.46,21.61,22.32,27.32,29.35,40.61,60.15,66.66,81.29,82.85,114.22,114.87,118.57,119.13,129.16,130.21,130.85,144.73,144.95,145.35.
氘代甲醇 打谱。麻烦大家啦~
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yaolan123

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【答案】应助回帖

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感谢参与,应助指数 +1
追索晨曦: 金币+15, ★★★★★最佳答案, 谢谢啊 2013-05-16 17:51:46
1 .     ditosylate
C25H30O9S2     相似度:59.0%
Journal of Natural Products          2000          63          592-595
Conversion of the Iridoid Glucoside Antirrhinoside into 3-Azabicyclo[3.3.0]octane Building Blocks
Henrik Franzyk, Signe M. Frederiksen, and Søren Rosendal Jensen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     9-Trifluoromethylsulfonyloxy-10-methoxy-pseudopterosin G-J Aglycone
C22H29F3O4S     相似度:54.5%
Marine Drugs          2012          10          1711-1728
Evaluation of Pseudopteroxazole and Pseudopterosin Derivatives against Mycobacterium tuberculosis and Other Pathogens
Malcolm W. B. McCulloch, Brad Haltli, Douglas H. Marchbank and Russell G. Kerr
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     compound 4b
C23H34ClNO5     相似度:52.1%
Journal of the Chemical Society, Perkin Transactions 1          1998                   3585-3599
Absolute stereostructures of novel cytotoxic metabolites, gymnastatins A–E, from a Gymnascella species separated from a Halichondria sponge
Taro Amagata, Mitsunobu Doi, Takatoshi Ohta, Katsuhiko Minoura and Atsushi Numata
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     (1R,12bR)-1-ethyl-2,3,6,7,12,12b-hexahydro-1-[2-[(phenylseleno)ethyl]-indolo[2,3-a]quinolizin-4(1H)-one
C25H28N2OSe     相似度:52.1%
Tetrahedron          2004          60          3273-3282
Total syntheses of (−-vallesamidine and related Aspidosperma and Hunteria type indole alkaloids from the common intermediate
Hideo Tanino, Kazuhisa Fukuishi, Mina Ushiyama, Kunisuke Okada
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     (1R,12bS)-1-ethyl-2,3,6,7,12,12b-hexahydro-1-[2-[(phenylseleno)ethyl]-indolo[2,3-a]quinolizin-4(1H)-one
C25H28N2OSe     相似度:52.1%
Tetrahedron          2004          60          3273-3282
Total syntheses of (−-vallesamidine and related Aspidosperma and Hunteria type indole alkaloids from the common intermediate
Hideo Tanino, Kazuhisa Fukuishi, Mina Ushiyama, Kunisuke Okada
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     Tubasenecine
C27H39O7N     相似度:52%
Journal of Natural Products          1992          Vol 55          899
New Alkaloids from Haplophyllum tuberculatum
Mohammad A. Al-Yahya, Adnan J. Al-Rehaily, Mohammad S. Ahmad, Mansour S. Al-Said, Farouk S. El-Feraly, Charles D. Hufford
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     dehydroisoapocavidine
C20H19NO5     相似度:50%
Chemistry & Biodiversity          2008          Vol. 5          777
Alkaloids from Corydalis saxicola and Their Anti-Hepatitis B Virus Activity
Hui-Liang Li, Ting Han, Run-Hui Liu, Chuan Zhang, Hai-Sheng Chen, and Wei-Dong Zhang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     O-Methylaureol
C22H32O2     相似度:50%
Journal of Natural Products          2002          65          476-480
New Antiinfective and Human 5-HT2 Receptor Binding Natural and Semisynthetic Compounds from the Jamaican Sponge Smenospongia aurea
Jin-Feng Hu, John A. Schetz, Michelle Kelly, iang-Nan Peng,Kenny K. H. Ang, Horst Flotow,Chung Yan Leong, Siew Bee Ng, Antony D. Buss, Scott P. Wilkins, and Mark T. Hamann
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     (E)- 1-[2,4-dihydroxy-3-(3-methy)-2-butenyl)phenyl]-3-(2,2-dimethyl-8-hydroxy-2H-benzopyran-6-yl)-2-propeni-one
C25H20O5     相似度:50%
Planta Medica          1994          60          121-123
An Antileishmanial Chalcone from Chinese Licorice Roots
S. Brøgger Christensen,ChenMing,Lotte Andersen,Ulla Hferne,Carl Erik Olsen, Claus Cornett,Thor G. Theander, and Arsalan Kharazrni
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     5'-O-methyl-aureol
C22H32O2     相似度:50%
Natural Product Research          2006          20          578-585
Isolation of aureol from Smenospongia sp. and cytotoxic activity of some aureol derivatives
Ya-Ching Shen; Chia-Ching Liaw; Jing-Ren Ho; Ashraf Taha Khalil; Yau-Haur Kuo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     compound 1
    相似度:50%
Phytochemistry          1993          34          737-742
Sesquiterpenes from Brintonia discoidea
Lu Tiansheng, David Vargas, Nikolaus H. Fischer
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     compound 3
    相似度:50%
Phytochemistry          1993          34          737-742
Sesquiterpenes from Brintonia discoidea
Lu Tiansheng, David Vargas, Nikolaus H. Fischer
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     compound 12
    相似度:50%
Phytochemistry          1993          34          737-742
Sesquiterpenes from Brintonia discoidea
Lu Tiansheng, David Vargas, Nikolaus H. Fischer
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     3-(2-Phenyl-benzofuran-3-yl)-propyl 4-azido-2,3,4,6-tetradeoxy-α-L-threo-hexopyranoside
C23H25N3O3     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          1779-1789
Structure–activity relationships in glycosylated 2-phenyl-indoles,2-phenyl-benzothiophenes and 2-phenyl-benzofurans as DNA binding and potential antitumor agents
Wei Shi, Todd L. Lowary
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     rooperol
    相似度:50%
Phytochemistry          1989          28          153-156
Structure determination of a phenolic pent-1-en-4-yne derivative from Hypoxis rooperi
Siegfried E. Drewes,Ursula J. Scogings,George L. Wenteler
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     (2E,4Z,6E,8E)-7-(3-indolyl)methyl-3-methyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenal
C28H33NO     相似度:50%
Journal of Heterocyclic Chemistry          2001          38          259-264
Synthesis of 11Z-9-demethyl-9-((3-indolyl)methyl)retinal
Akimori Wada, Naoko Fujioka and Masayoshi Ito
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     4-[N-(methyl)-N-acetonyl]amino-5,5-ethylenedioxy-1-(toluene-4-sulfonyl)-3,4-dihydro-1H-benzo-[c,d]indole
C24H26N2O5S     相似度:50%
Heterocycles          2004          64          153-175
Chemistry of Indoles Carrying a Basic Function. Part IX. Unexpected Cyclizations of Diketones Derived from Uhle's Ketone
István Moldvai,* Eszter Gács-Baitz, Eszter Temesvári-Major, Mária Incze, László Poppe, and Csaba Szántay*
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     Compound 1
C22H24O7     相似度:50%
Bioorganic & Medicinal Chemistry Letters          2004          14          5339-5342
Three new compounds from the plant Lippia alva as inhibitors of chemokine receptor 5 (CCR5)
Vinod R. Hegde, Haiyan Pu, Mahesh Patel, Pradip R. Das, Julie Strizki, Vincent P. Gullo, Chuan-Chu Chou, Alexei V. Buevich, Tze-Ming Chan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     Compound 3
C21H22O7     相似度:50%
Bioorganic & Medicinal Chemistry Letters          2004          14          5339-5342
Three new compounds from the plant Lippia alva as inhibitors of chemokine receptor 5 (CCR5)
Vinod R. Hegde, Haiyan Pu, Mahesh Patel, Pradip R. Das, Julie Strizki, Vincent P. Gullo, Chuan-Chu Chou, Alexei V. Buevich, Tze-Ming Chan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     Compound 2
    相似度:50%
Magnetic Resonance in Chemistry          2008          46          1158-1162
Complete and unambiguous assignments of 1H and 13C chemical shifts of new arylamino derivatives of ortho-naphthofuranquinones (pages 1158–1162)
Eufranio N. da Silva Júnior, Maria Cecília B. V. de Souza, Antônio V. Pinto, Maria do Carmo F. R. Pinto, Christiane M. Nogueira, Vitor F. Ferreira and Rodrigo B. V. Azeredo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     compound 3d
    相似度:50%
Tetrahedron Letters          2002          43          4399-4402
Synthesis of β-organotelluro vinylphosphine oxides by hydrotelluration of 1-alkynylphosphine oxides and their palladium-catalyzed cross-coupling with alkynes
Antonio L. Braga, Fabrı́cio Vargas, Gilson Zeni, Claudio C. Silveira, Leandro H. de Andrade
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     11,12-Dihydroxy-6,8,11,13-icetexatatraen-1-one
C20H26O3     相似度:50%
Tetrahedron          2012          68          819-829
Potential anti-inflammatory diterpenes from Premna obtusifolia
Abdul-Wahab Salae, Apinya Rodjun, Chatchanok Karalai, Chanita Ponglimanont, Suchada Chantrapromma, Akkharawit Kanjana-Opas, Supinya Tewtrakul, Hoong-Kun Fun
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     6-Propyl-5H-indolo[3',2':4,5]pyrido[1,2-a][1,3]benzimidazole
C20H17N3     相似度:50%
Tetrahedron          2012          68          4202-4209
One-pot efficient synthesis of novel fused pentacyclic indolopyridobenzimidazoles and pyridoimidazopyridoindoles from the reaction of pyranoindolones with 1,2-diaminobenzenes and 2,3-diaminopyridines
Despina Livadiotou, Anna Maria Fadel, Constantinos A. Tsoleridis, Julia Stephanidou-Stephanatou
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     methyl 7-methyl-2-propyl-3-(2-(tosyloxy)ethyl)-3H-benzimidazole-5-carboxylate
C22H26N2O5S     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          2394-2401
18F Labeled benzimidazole derivatives as potential radiotracer for positron emission tomography (PET) tumor imaging
Shuting Zhang, Xiao Wang, Yong He, Rui Ding, Hang Liu, Jingli Xu, Man Feng, Guixia Li, Ming Wang, Cheng Peng, Chuanmin Qi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     1(SS/RS)-[5-N-methylcarbonyloxy-2-methyl-(2S,3Z)-3-pentenylsulfinyl]-benzene
C14H19NO3S     相似度:50%
Tetrahedron          2004          60          3059-3065
Modular and stereoselective formal synthesis of MeBmt, an unusual amino acid constituent of cyclosporin A
Sadagopan Raghavan, M.Abdul Rasheed
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     1-(4-hydroxyphenyl)-12-(3-n-pentoxyphenyl)-1,12-dicarba-closo-dodecaborane
C19H30B10O2     相似度:50%
Bioorganic & Medicinal Chemistry          2009          17          1109-1117
Synthesis and biological evaluation of p-carborane bisphenols and their derivatives: Structure–activity relationship for estrogenic activity
Takumi Ogawa, Kiminori Ohta, Toru Iijima, Tomoharu Suzuki, Shigeru Ohta, Yasuyuki Endo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     haliangicin B
C22H32O5     相似度:50%
The Journal of Antibiotics          2003          56          630-638
New Haliangicin Isomers, Potent Antifungal Metabolites Produced by a Marine Myxobacterium
BANGI A. KUNDIM,YU ITOU,YOUJI SAKAGAMI,RYOSUKE FUDOU,TAKASHI IIZUKA,SHIGERU YAMANAKA and MAKOTO OJIKA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     barbeyol
C18H16O5     相似度:50%
Zeitschrift für Naturforschung C          2002          57          17-20
Barbeyol: A New Phenolic Indane Type Component from Barbeya oleoides
B. Ahmed, A. J. Al-Rehaily, and J. S. Mossa
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     hypoxoside
    相似度:50%
Food Chemistry          2007          101          1425-1437
Isolation, characterization and antioxidant capacity assessment of the bioactive compounds derived from Hypoxis rooperi corm extract (African potato)
Olga Laporta, Laura Pérez-Fons, Ricardo Mallavia, Nuria Caturla, Vicente Micol
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     N,N'-bis(4-methylphenyl)sulfonyl-N-(tert-butyloxycarbonyl)-N'-(2-cyanoethyl)-2-butyn-1,4-diamine
C26H31N3S2O6     相似度:50%
European Journal of Organic Chemistry          2010                   3407-3415
Microwave-Enhanced Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions To Afford Highly Functionalized Pyridines and Bipyridines
Lídia Garcia, Anna Pla-Quintana, Anna Roglans and Teodor Parella
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

31 .     (2R*,3E,6S*)-1-benzyl-3-ethylidene-6-hexyl-4-methyl-2-phenyl-2,6-dihydropyridine
C27H35N     相似度:50%
Tetrahedron          2012          68          9345-9349
Pyridines and pyridine derivatives from vinyl allenes and imines
David Regás, María M. Afonso, J. Antonio Palenzuela
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

32 .     3-tert-butoxycarbonylmethyl-5-methyl-2-tosylisoindolin-1-one
C22H25NO5S     相似度:50%
Tetrahedron          2012          68          9192-9199
Rhodium catalyzed synthesis of isoindolinones via C–H activation of N-benzoylsulfonamides
Chen Zhu, John R. Falck
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

33 .     3,5-di-O-acetylkhonklonginol A
C30H32O8     相似度:50%
Heterocycles          2012          85          2723-2734
Oximes of 3-Hydroxyprenylflavanones and Their Cytotoxic Activities
Sanit Thongnest, Ranu Sawangsri, Korakot Navakhun, Jantana Yahuafai, Pongpun Siripong, and Somyote Sutthivaiyakit
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

34 .     loranthin
C24H18O11     相似度:50%
Phytochemistry Letters          2013          6          113-117
Loranthin: A new polyhydroxylated flavanocoumarin from Plicosepalus acacia with significant free radical scavenging and antimicrobial activity
Jihan M. Badr, Lamiaa A. Shaala, Diaa T.A. Youssef
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

35 .     Sinularcasbane F
C20H32O2     相似度:50%
Marine Drugs          2013          11          455-465
New Casbane Diterpenoids from a South China Sea Soft Coral, Sinularia sp.
Jian Yin, Min Zhao, Minshan Ma, Yuping Xu, Zheng Xiang, Yuepiao Cai, Jianyong Dong, Xinxiang Lei, Kexin Huang and Pengcheng Yan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

36 .     Schisphenlignan G
C22H26O7     相似度:50%
Fitoterapia          2013          86          171-177
Six new lignans from the leaves and stems of Schisandra sphenanthera
Cheng-Qin Liang, Jing Hu, Rong-Hua Luo, Yi-Ming Shi, Shan-Zhai Shang, Zhong-Hua Gao, Rui-Rui Wang, Yong-Tang Zheng, Wen-Yong Xiong, Hong-Bin Zhang, Wei-Lie Xiao, Han-Dong Sun
Structure      13C NMR   碳谱模拟图
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