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a356926674

金虫 (小有名气)

[求助] 求助一微谱数据 已有1人参与

C谱:202.10, 172.79, 157.64, 133.66, 111.45, 101.10, 59.29, 51.94, 49.85, 44.82, 43.69, 28.54, 27.46, 25.38, 23.99, 23.72, 21.64, 20.70
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Nothingisimpossible
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guoquan5001

金虫 (小有名气)

【答案】应助回帖

感谢参与,应助指数 +1
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)
2楼2014-07-24 09:16:39
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a356926674

金虫 (小有名气)

引用回帖:
2楼: Originally posted by guoquan5001 at 2014-07-24 09:16:39
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)

20.70,21.64,23.72,23.99,25.38,27.46,28.54,43.69,44.82,49.85,51.94,59.29,101.10,111.45,133.66,157.64,172.79,202.10
已改,谢谢
Nothingisimpossible
3楼2014-07-25 21:23:59
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guoquan5001

金虫 (小有名气)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
a356926674: 金币+10, ★★★★★最佳答案, 不好意思,迟了 2014-11-11 14:55:17
查询结果:共查到133个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     aphylline
C15H24N2O     相似度:61.1%
Chemistry of Natural Compounds          1996          32          216-334
ALKALOIDS. PLANTS, STRUCTURE, PROPERTIES
R. Shakirov, M. V. Telezhenetskaya, I. A. Bessonova,S. F. Aripova, I. A. Israilov, M. N. Sultankhodzhaev,V. I. Vinogradova, V. I. Akhmedzhanova, T. S. Tulyaganov,B. T. Salimov, and V. A. Tel'nov
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     Ethyl 2-[3-(2,2-dimethylpropanoyl)selenoureido]-4,5,6,7-tetrahydrobenzo[1]thiophene-3-carboxylatepotassium salt
C17H23N2O3SSeK     相似度:61.1%
Molecules          2000          5          37-50
Acid-Base Initiated Cyclization and Retrocyclization Reactions of Ethyl 2-(3-Acylselenoureido)benzoates, -thiophene-3-carboxylates and the Corresponding 2-(3-Acylisoselenoureido) Derivatives
Jiri Sibor, Dalimil Zurek, Otakar Humpa and Pavel Pazdera
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     1-[N-[[(3S)-3-[[(2-methylpropyl)amino]carbonyl]-(2S)-2-aziridinyl]carbonyl]-L-leucyl]-L-proline methyl ester
    相似度:61.1%
Journal of Medicinal Chemistry          1995          38          3078-3085
Aziridine Analogs of [[trans-(Epoxysuccinyl)-L-leucyl]amino]-4-guanidinobutane (E-64) as Inhibitors of Cysteine Proteases
Valeri Martichonok, Celine Plouffe, Andrew C. Storer, Robert Menard, J. Bryan Jones
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     compound 15
C23H38N4O5     相似度:57.8%
Journal of Natural Products          2011          84          1630-1635
JBIR-56 and JBIR-57, 2(1H)-Pyrazinones from a Marine Sponge-Derived Streptomyces sp. SpD081030SC-03
Keiichiro Motohashi, Kennichi Inaba,Shinichiro Fuse, Takayuki Doi, Miho Izumikawa,Shams Tabrez Khan, Motoki Takagi, Takashi Takahashi,and Kazuo Shin-ya
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     16-Amino-1-hydroxy-bicyclo[10.4.0]hexadecan-13-on-athylenacetal
C18H33NO3     相似度:55.5%
Helvetica Chimica Acta          1981          64          736-760
3-Hydroxy-4-nitro-cyclohexanone aus Ketonen und 4-Nitrobuttersäurechlorid. Eine ringerweiternde Fünfringanellierung
Thomas Weller, Dieter Seebach, Raymond E. Davis, Brian B. Laird
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     (1S,2S)-methyl 2-((R)-1-(butyldimethylsilyloxy)-4-methylpentan-3-yl)-4-methylcyclohex-3-enecarboxylate
C21H40O3Si     相似度:55.5%
The Journal of Organic Chemistry          2011          76          6558-6573
Total Synthesis of 10-Isocyano-4-cadinene and Its Stereoisomers and Evaluations of Antifouling Activities
Keisuke Nishikawa, Hiroshi Nakahara, Yousuke Shirokura, Yasuyuki Nogata, Erina Yoshimura,Taiki Umezawa, Tatsufumi Okino, and Fuyuhiko Matsuda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     methyl 2-[(1R,2R,6R)-6-isopropenyl-2-methoxy-3-methylcyclohex-3-enyl]-2-methyl-propionate
C16H26O3     相似度:55.5%
Indian Journal of Chemistry Section B          2008          47B          1414-1422
Enantiospecific synthesis of (+)-trans-α-himachalene via an intramolecular type II carbonyl ene reaction
Srikrishna,A; Kumar,P Ravi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     Compound 4c
C26H40N4O6S     相似度:55.5%
Bioorganic & Medicinal Chemistry Letters          2006          16          2067-2070
Fluorescent glycosidase inhibiting 1,5-dideoxy-1,5-iminoalditols
Peter Greimel, Herwig Häusler, Inge Lundt, Karen Rupitz, Arnold E. Stütz, Chris A. Tarling, Stephen G. Withers, Tanja M. Wrodnigg
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     compound 19
C16H26O3     相似度:55.5%
Tetrahedron Letters          2004          45          6867-6870
Enantiospecific first total synthesis of (+)-trans-α-himachalene
A. Srikrishna, P. Ravi Kumar
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     compound 5c
C15H24O2     相似度:55.5%
Tetrahedron Letters          2005          46          5803-5806
TiF4-mediated biomimetic alkylation-cyclization cascade reaction of 2-trimethylsilylmethyl-1,5-dienes with aldehydes
Luigi Anastasia, Elios Giannini, Giuseppe Zanoni, Giovanni Vidari
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     (±)-N1-[2-(1-Cyclohexenyl)ethyl]-N3-(1-methylheptyl)guanidine hydrochloride
C17H34N3Cl     相似度:55.5%
Archiv der Pharmazie          2002          335          535-546
Novel High Energy Intermediate Analogues with Triazasterol-Related Structures as Inhibitors of Ergosterol Biosynthesis Part I: Synthesis and Antifungal Activity of N-alkyl-N'-(phenethyl-and cyclohexenylethyl)guanidines and N2-Substituted 2-Imidazolinamin฀
Edith Gößnitzer, Roland Malli, Silvia Schuster, Bertrand Favre and Neil S. Ryder
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     2-(1-hydroxy-4,6,6-trimethylcyclohex-2-enyl)-4,6,6-trimethylcyclohex-2-en-1-one
C18H28O2     相似度:55.5%
Heterocycles          2000          53          2201-2220
A Concise Preparation of Yuehchukene and Its Analogues
Minoru Ishikura,* Katsuaki Imaizumi, and Nobuya Katagiri
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     (±)-ethyl 6-(octylsulfonyl)-6-aza-bicyclo[3.1.0]hexane-2-carboxylate
    相似度:55.5%
Bioorganic & Medicinal Chemistry          2010          18          6470-6479
Design, synthesis, and biological evaluation of conformationally constrained glycerol 3-phosphate acyltransferase inhibitors
Edward A. Wydysh, Aravinda Vadlamudi, Susan M. Medghalchi, Craig A. Townsend
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     Boc-N-L-leucyl-L-proline methyl ester
    相似度:55.5%
Journal of Medicinal Chemistry          1995          38          3078-3085
Aziridine Analogs of [[trans-(Epoxysuccinyl)-L-leucyl]amino]-4-guanidinobutane (E-64) as Inhibitors of Cysteine Proteases
Valeri Martichonok, Celine Plouffe, Andrew C. Storer, Robert Menard, J. Bryan Jones
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     1-[N-[[(3S)-3-[[(2-methylpropyl)amino]carbonyl]-(2S)-2-aziridinyl]carbonyl]-L-leucyl]-L-proline
C19H32N4O5     相似度:55.5%
Journal of Medicinal Chemistry          1995          38          3078-3085
Aziridine Analogs of [[trans-(Epoxysuccinyl)-L-leucyl]amino]-4-guanidinobutane (E-64) as Inhibitors of Cysteine Proteases
Valeri Martichonok, Celine Plouffe, Andrew C. Storer, Robert Menard, J. Bryan Jones
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     1-[N-[[(3R)-3-[[(2-Methylpropyl)amino]carbonyl]-(2R)-2-aziridinyl]carbonyl]-L-leucyl]-L-proline
C19H32N4O5     相似度:55.5%
Journal of Medicinal Chemistry          1995          38          3078-3085
Aziridine Analogs of [[trans-(Epoxysuccinyl)-L-leucyl]amino]-4-guanidinobutane (E-64) as Inhibitors of Cysteine Proteases
Valeri Martichonok, Celine Plouffe, Andrew C. Storer, Robert Menard, J. Bryan Jones
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     Dihydromyricoidine
    相似度:55.5%
Helvetica Chimica Acta          1996          79          1995-2003
Total Synthesis of (−-(2R)-Dihydromyricoidine
Ursula A. Häusermann, Anthony Linden, Jiangao Song and Manfred Hesse
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     dihydroxynardol
    相似度:55.5%
Helvetica Chimica Acta          1985          68          2355-2358
Structure and Stereochemistry of New Sesquiterpene Esters from Echinacea purpurea (L.) MOENCH. (Preliminary communication)
Rudolf F. X. Bauer, Ikhlas A. Khan, Hermann Lotter, Hildebert Wagner and Victor Wray
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     (S,E)-N-(2,2,6,6-Tetramethyl-1-oxo-piperidin-4-yl)-5-(tertbutoxycarbonylamino)-7-methyloct-3-enamide
    相似度:55.5%
Tetrahedron          2014          70          3291-3296
A two-step synthesis of the bioprotective agent JP4-039 from N-Boc-l-leucinal
Barbara Bernardim, Antonio C.B. Burtoloso
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     (1R,3S,4R,7Z,11S,12S)-3-hydroxydolabella-7,18-dien-4,17-olide
C20H30O3     相似度:55%
Tetrahedron          2000          56          5085-5091
Structure, Conformation and Absolute Configuration of New Antifeedant Dolabellanes from Trichilia trifolia
Marı́a del Carmen Ramı́rez, Rubén A. Toscano, John Arnason, Semir Omar, Carlos M. Cerda-Garcı́a-Rojas, Rachel Mata
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     compound 15
C19H28ClNO6S     相似度:52.6%
Journal of Natural Products          2007          70          269-276
Salinosporamides D-J from the Marine Actinomycete Salinispora tropica, Bromosalinosporamide, and Thioester Derivatives Are Potent Inhibitors of the 20S Proteasome
Katherine A. Reed, Rama Rao Manam, Scott S. Mitchell, Jianlin Xu, Sy Teisan, Ta-Hsiang Chao, Gordafaried Deyanat-Yazdi,Saskia T. C. Neuteboom, Kin S. Lam, and Barbara C. M. Potts
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     5-(2-acetoxy-8-oxotridecyl)resorcinol
C21H32O5     相似度:52.6%
Journal of Natural Products          1997          60          65-68
Resorcinol Derivatives and Flavonoids of Ononis natrix Subspecies ramosissima
Alejandro F. Barrero, M. Mar Herrador, Pilar Arteaga, Ignacio Rodríguez-García, and Manuel García-Moreno
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     compound 9b
    相似度:52.6%
Tetrahedron Letters          2001          42          4163-4165
Efforts towards the synthesis of jatrapholane diterpenes: a biomimetic transannular reaction approach
Tomoo Matsuura, Yukimasa Terada, Shosuke Yamamura
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     1-[N-[[(3R)-3-[[(2-methylpropyl)amino]carbonyl]-(2R)-2-aziridinyl]carbonyl]-L-leucyl]-L-proline methyl ester
C20H3N4O5     相似度:52.6%
Journal of Medicinal Chemistry          1995          38          3078-3085
Aziridine Analogs of [[trans-(Epoxysuccinyl)-L-leucyl]amino]-4-guanidinobutane (E-64) as Inhibitors of Cysteine Proteases
Valeri Martichonok, Celine Plouffe, Andrew C. Storer, Robert Menard, J. Bryan Jones
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     (R)-2-acetyloxy-3-(4-benzyloxyphenyl)propanoic acid
C18H18O5     相似度:52.6%
Chemistry-A European Journal          2001          7          3446-3460
First Total Syntheses of Aeruginosin 298-A and Aeruginosin 298-B, Based on a Stereocontrolled Route to the New Amino Acid 6-Hydroxyoctahydroindole-2-carboxylic Acid
Nativitat Valls, Meritxell López-Canet, Mercè Vallribera and Josep Bonjoch
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     compound 39a
C21H36N2O6     相似度:52.6%
Chemistry-A European Journal          2001          7          3446-3460
First Total Syntheses of Aeruginosin 298-A and Aeruginosin 298-B, Based on a Stereocontrolled Route to the New Amino Acid 6-Hydroxyoctahydroindole-2-carboxylic Acid
Nativitat Valls, Meritxell López-Canet, Mercè Vallribera and Josep Bonjoch
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     compound 12
    相似度:52.3%
Steroids          2002          67          621-626
13C-NMR study of 4-azasteroids in solution and solid state
Jacek W. Morzycki, Iwona Wawer, Agnieszka Gryszkiewicz, Jadwiga Maj, Leszek Siergiejczyk, Alicja Zaworska
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     2α,3α-epoxy-16-methoxy-8,9-secofusicocca-7,9-dien-1-ol
C21H34O3     相似度:52.3%
Tetrahedron          1996          52          3921-3932
Total synthesis of optically active cotylenol, a fungal metabolite having a leaf growth activity. Intramolecular ene reaction for an eight-membered ring formation
Nobuo Kato, Hiroaki Okamoto, Hitoshi Takeshita
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     dimethoxycurcumenone
C17H28O3     相似度:50%
Chemical & Pharmaceutical Bulletin          2008          56(12)          1710-1716
Structures of New Sesquiterpenes from Curcuma comosa
Fengming XU,Seikou NAKAMURA,Yang QU,Hisashi MATSUDA,Yutana PONGPIRIYADACHA,Lijun WU,and Masayuki YOSHIKAWA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     ent-2,3-secobeyer-15-ene-2,3-dioic acid
    相似度:50%
Chemical & Pharmaceutical Bulletin          2003          51(10)          1142-1146
Three Diterpenoids (Excoecarins V1—V3) and a Flavanone Glycoside from the Fresh Stem of Excoecaria agallocha
Tenji KONISHI,Kiyonori YAMAZOE,Masahiro KANZATO,Takao KONOSHIMA,and Yasuhiro FUJIWARA
Structure      13C NMR   碳谱模拟图
4楼2014-07-27 15:35:28
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