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lcyscau

木虫 (正式写手)

[求助] 微谱数据求助 已有1人参与

碳谱数据如下,溶剂氘代DMSO,查的时候不用考虑溶剂,50%以上的相似度,谢谢!
13.4,58.1,71.5,77.0,78.0,127.0,156.4,185.6
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zxmlove0303

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4楼: Originally posted by lcyscau at 2014-08-18 21:36:12
谢谢啦,请问下有没有大于50%相似度的结果?...

用DMSO作溶剂的就2个,下面的,我又用所有溶剂帮你查了一下就24个!!!
5楼2014-08-18 21:39:33
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zxmlove0303

金虫 (小有名气)

【答案】应助回帖

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感谢参与,应助指数 +1
lcyscau: 金币+15, ★★★★★最佳答案 2014-08-18 21:42:34
查询结果:共查到2个化合物(查询结果仅供参考)
1 .     14-hydroxy-ADD
    相似度:50%
Natural Product Research          1995          6          7-14
Microbial Hydroxylation of Androsta-1, 4-diene-3, 17-dione
Steffen Breiter; Dietmar Schlosser; Dieter Weiss; Hans-Peter Schmauder
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     compound 5d
C9H6N4S2     相似度:50%
Archiv der Pharmazie          2003          336          230-235
Synthesis of 5-(4-Alkylsulfanyl-[1,2,5]Thiadiazol-3-yl)-3-Methyl-1,2,3,4-Tetrahydropyrimidine Oxalate Salts and their Evaluation as Muscarinic Receptor Agonists
Myung Hee Jung, Jewn-Giew Park and Woo-Kyu Park
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2楼2014-08-18 21:28:18
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zxmlove0303

金虫 (小有名气)

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1 .     (-)-uniflorine A
C8H15NO5     相似度:50%
Journal of Natural Products          2009          72          2058-2060
Total Synthesis of (-)-Uniflorine A
Camilla Parmeggiani, Daniele Martella, Francesca Cardona, and Andrea Goti
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     kweichowenol B
C21H20O7     相似度:50%
Chinese Chemical Letters          2005          16          1343-1346
Two New Polyoxygenated Cyclohexenes from Uvaria kweichowensis
Qiong Ming XU, Zhong Mei ZOU, Li Zhen XU, Shi Lin YANG
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     compound 21c
    相似度:50%
Helvetica Chimica Acta          1980          63          2538-2553
Unambiguous Proof for Alcoxycarbonyl-group Migration in Wagner-Meerwein Rearrangements
Daniel Berner, Hans Dahn, Pierre Vogel
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     14-hydroxy-ADD
    相似度:50%
Natural Product Research          1995          6          7-14
Microbial Hydroxylation of Androsta-1, 4-diene-3, 17-dione
Steffen Breiter; Dietmar Schlosser; Dieter Weiss; Hans-Peter Schmauder
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     α-1-C-Ethyl-fagomine
C8H17O3N     相似度:50%
Phytochemistry          2000          53          379-382
Polyhydroxylated pyrrolidine and piperidine alkaloids from Adenophora triphylla var. japonica (Campanulaceae)
Naoki Asano, Makoto Nishida, Miwa Miyauchi, Kyoko Ikeda, Masaru Yamamoto, Haruhisa Kizu, Yukihiko Kameda, Alison A. Watson, Robert J. Nash, George W.J. Fleet
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     compound 3
C8H18O4     相似度:50%
Phytochemistry          1996          43          161-163
Dinormonoterpenoids and their apiosylglucosides from Thevetia peruviana
Fumiko Abe, Rong-Fuh Chen, Tatsuo Yamauchi
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     retronecine
    相似度:50%
Journal of Natural Products          1979          Vol 42          603-614
Pyrrolizidine Alkaloids From Middle Eastern Plants
L. H. Zalkow, S. Bonetii, L. Gelbaum, M. M. Gordon, B. B. Patil, A. Shani, D. Van Derveer
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     Methyl β-D-Glucopyranoside
    相似度:50%
Journal of Natural Products          1992          Vol 55          723
Studies on Aloe, Part 10. Feroxins A and B, Two O-Glucosylated 1-Methyltetralins from Cape Aloe
Giovanna Speranza, Paolo Manitto, Diego Monti, Donata Pezzuto
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     Psydrin
    相似度:50%
Phytochemistry          1995          39          375-378
Phenylpropanoid glycosides, a furanone glucoside and geniposidic acid from members of the rubiaceae
Adolf Nahrstedt, Jürgen Rockenbach, Victor Wray
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
10 .     compound 6
C36H40O16S4     相似度:50%
Tetrahedron Letters          2000          41          3601-3606
Synthesis and solid state structural analysis of 1,3-alternate conformer of tetrathiacalix[4]arene tetra-ester, -acid and -ether derivatives
Huriye Akdas, Wojciech Jaunky, Ernest Graf, Mir Wais Hosseini, Jean-Marc Planeix, André De Cian, Jean Fischer
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
11 .     (1R,2S)-N-(2-hydroxy-1-methyl-2-phenylethyl)-methoxy-acetamide
C12H17NO3     相似度:50%
Journal of Heterocyclic Chemistry          2002          39          823-828
Synthesis of N4-substituted[1,3,4]oxadiazinan-2-ones derived from norephedrine
David M. Casper, George P. Nora, Jennifer R. Blackburn, Jeromy T. Bentley, Deanna C. Taylor and Shawn R. Hitchcock
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
12 .     compound 5d
C9H6N4S2     相似度:50%
Archiv der Pharmazie          2003          336          230-235
Synthesis of 5-(4-Alkylsulfanyl-[1,2,5]Thiadiazol-3-yl)-3-Methyl-1,2,3,4-Tetrahydropyrimidine Oxalate Salts and their Evaluation as Muscarinic Receptor Agonists
Myung Hee Jung, Jewn-Giew Park and Woo-Kyu Park
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
13 .     2-(Crotyloxy)-1-nitrobutane
    相似度:50%
Tetrahedron          2012          68          1521-1539
Oxidative tandem alkoxide conjugate addition to nitroalkenes/radical 5-exo cyclizations—a versatile synthesis of functionalized 3-nitrotetrahydrofurans
Ullrich Jahn, Dmytro Rudakov, Peter G. Jones
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
14 .     methy β-D-glucoside
    相似度:50%
Bulletin of the Chemical Society of Japan          1983          56          1573-1574
A New Glycoside, Kusaginin Isolated from Clerodendron trichotomum
Atsushi Sakurai, Takahiko Kato
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
15 .     5-Amino-5-deoxy-2-C-hydroxymethyl-L-gulono-1,5-lactam
C7H13NO6     相似度:50%
European Journal of Organic Chemistry          2012                   2394-2402
Hydroxymethyl-Branched Piperidines from Hydroxymethyl-Branched Lactones: Synthesis and Biological Evaluation of 1,5-Dideoxy-2-C-hydroxymethyl-1,5-imino-D-mannitol, 1,5-Dideoxy-2-C-hydroxymethyl-1,5-imino-L-gulitol and 1,5-Dideoxy-2-C-hydroxymethyl-1,5-imi
Raquel G. Soengas, Michela I. Simone, Stuart Hunter, Robert J. Nash, Emma L. Evinson and George W. J. Fleet
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
16 .     β-D-glu methyl ester
    相似度:50%
Natural Product Research and Development          2009          21          428-429
Chemical Constituents of Broth of Tylopilus virens
TANG Jian-guo;REN Fu-cai; LIU Ji-kai
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
17 .     (S)-2-azido-1-(4-tert-butoxy)phenylethanol
C12H17N3O2     相似度:50%
Tetrahedron          2003          59          9961-9969
Synthesis, stereochemistry confirmation and biological activity evaluation of a constituent from Isodon excisus
Xuechao Xing, Pei Ho, Geoffroy Bourquin, Li-An Yeh, Gregory D Cuny
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
18 .     1-trifluoromethylsulfonamido-4-(2-propynyloxy)benzene
C10H8NO3F3S     相似度:50%
Bioorganic & Medicinal Chemistry          2009          17          7254-7264
Design, synthesis and evaluation of monovalent ligands for the asialoglycoprotein receptor (ASGP-R)
Daniela Stokmaier, Oleg Khorev, Brian Cutting, Rita Born, Daniel Ricklin, Thomas O.G. Ernst, Fabienne Böni, Kathrin Schwingruber, Martin Gentner, Matthias Wittwer, Morena Spreafico, Angelo Vedani, Said Rabbani, Oliver Schwardt, Beat Ernst
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
19 .     N-methoxymethyl-2-ethoxy-2-propenethioamide
C7H13NO2S     相似度:50%
Russian Journal of Organic Chemistry          2004          40          35-44
Reactions of Heterocumulenes with Organometallic Reagents: VIII. Reactions of Carbanions Derived from Alkoxy- and Alkylsulfanylethenes with Isothiocyanates-A Convenient Route to 2-Propenethioamides, 1-Methylsulfanyl-2-propen-1-imines, and Benzothiazoles
N. A. Nedolya, N. I. Shlyakhtina, G. I. Sarapulova and L. Brandsma
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
20 .     2-deoxyfortamine
    相似度:50%
The Journal of Antibiotics          1982          35          517-519
A NEW BROAD-SPECTRUM AMINOGLYCOSIDE ANTIBIOTIC COMPLEX, SPORARICIN V. SPORARICIN E
AKIO IWASAKI, TAKEO DEUSHI, ISAMU WATANABE, MASAO OKUCHI, HISAKATSU ITOH, TOSHIHITO MORI
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
21 .     aminocyclitol
C8H18N2O3     相似度:50%
The Journal of Antibiotics          1979          32          1066-1068
THE STRUCTURAL ELUCIDATION OF AMINOGLYCOSIDE ANTIBIOTICS, SANNAMYCINS A AND B
ISAMU WATANABE, TAKEO DEUSHI, TAKASHI YAMAGUCHI, KAZUHIRO KAMIYA, MASAHITO NAKAYAMA, TOSHIHITO MORI
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
22 .     casuarine
C8H15NO5     相似度:50%
The Journal of Organic Chemistry          2010          75          815-824
Total Synthesis of Uniflorine A, Casuarine, Australine, 3-epi-Australine, and 3,7-Di-epi-australine from a Common Precursor
Thunwadee Ritthiwigrom, Anthony C. Willis, and Stephen G. Pyne
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
23 .     compound 44
C8H16O3     相似度:50%
Tetrahedron          2013          69          7746-7758
Stereoselectivity of electrophile-promoted oxacyclizations of 1,4-dihydroxy-5-alkenes to 3-hydroxytetrahydropyrans
Frank E. McDonald, Kento Ishida, Jessica A. Hurtak
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
24 .     methyl β-D-glucopyranoside
    相似度:50%
Magnetic Resonance in Chemistry          1993          31          599-605
1H and 13C NMR data for 2-O-, 3-O-and 2,3-di-O-glycosylated methyl α-and β-D-galactopyranosides
Alexander S. Shashkov, Nikolay E. Nifant'ev, Vera Yu. Amochaeva and Nikolay K. Kochetkov
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3楼2014-08-18 21:29:11
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lcyscau

木虫 (正式写手)

引用回帖:
2楼: Originally posted by zxmlove0303 at 2014-08-18 21:28:18
查询结果:共查到2个化合物(查询结果仅供参考)
1 .     14-hydroxy-ADD
    相似度:50%
Natural Product Research          1995          6          7-14
Microbial Hydroxylation of Androsta-1, 4-diene ...

谢谢啦,请问下有没有大于50%相似度的结果?
4楼2014-08-18 21:36:12
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