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杨大松

至尊木虫 (文坛精英)

[求助] 求助微谱数据,谢谢

分到一个化合物猜了很久未看出来,此化合物共28个碳,碳谱数据如下:
15.9,16.0,16.1,17.6,25.7,26.2,26.5,26.6,26.7,28.9,34.3,39.6,39.7,39.8,48.7,63.9,110.9,122.1,123.8,124.1,124.2,124.3,131.2,131.3,135.0,135.5,136.4,149.5
辛苦各位了,谢谢。
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杨大松: 金币+25, ★★★★★最佳答案 2012-06-17 09:50:12
1 .     peplusol
C30H50O     相似度:96.5%
Journal of Natural Products          2000          63          267-269
Nonpolar Components of the Latex of Euphorbia peplus
José-Luis Giner, Jason D. Berkowitz, and Thomas Andersson
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     anhydrobisfarnesol
C30H50O     相似度:92.8%
Tetrahedron          2000          56          9647-9653
Structure and Synthesis of Anhydrobisfarnesol from Euphorbia lateriflora and Asymmetric Synthesis of (R)-Sesquilavandulol
Sophie Faure, Joseph D. Connolly, Christopher O. Fakunle, Olivier Piva
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     3-(4,8,12,16-Tetramethylheptadeca-3,7,11,15-tetraenyl)-thiophene-1-oxide
C25H38OS     相似度:78.5%
Journal of Asian Natural Products Research          2011          Vol.13,No.9          879-883
A new acyclic thiophene sesterterpene from the Sikao Bay sponge, Xestospongia sp.
Patchara Pedpradaba and Khanit Suwanborirux
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     4-hydroxy-3-octaprenylbenzoic acid
    相似度:75.8%
Natural Product Sciences          1999          5          177-180
Terpenoids from Two Sponge Species of the Aegean Sea
Erdogan, Ilkay; Tanaka, Junichi; Higa, Tatsuo; Sener, Bilge
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     1,4-dihydroxy-2-tetraprenylbenzene derivative
C28H40O3     相似度:75%
Journal of Natural Products          1996          59          960-961
A New Tetraprenylhydroquinone Derivative with an Acetic Acid Unit from the Marine Sponge Ircinia muscarum
Julia Pérez Baz, Librada M. Ca?edo, and Dianne Tapiolas
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     sargaol
    相似度:75%
Phytochemistry          1999          50          63-69
Cytotoxic polyisoprenes and glycosides of long-chain fatty alcohols from Dimocarpus fumatus
Laurence Voutquenne, Catherine Lavaud, Georges Massiot, Thierry Sevenet,Hamid A. Hadi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     compound 3
C27H38O4     相似度:75%
Journal of Natural Products          1989          Vol 52          614
Novel Prenylated Hydroxybenzoic Acid Derivatives from Piper saltuum
Anderson Maxwell, Dave Rampersad
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     sargaol
C27H38O2     相似度:75%
Phytochemistry          1992          31          1209-1213
A cytotoxic principle of the brown alga Sargassum tortile and structures of chromenes
Atsushi Numata, Shoichi Kanbara, Chika Takahashi, Ryoko Fujiki, Michiko Yoneda, Yoshihide Usami, Eiichi Fujita
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     compound 4
C28H45F3O     相似度:75%
Tetrahedron Letters          2000          41          6367-6370
Trifluoromethyl ketones derived from squalene: inhibition of the cholesterol biosynthesis in HepG2 cells
Farid Benayoud, Ahmed Abouabdellah, Cyrille Richard, Danièle Bonnet-Delpon, Jean-Pierre Bégué, Danielle Levasseur, Olivier Boutaud, Francis Schuber
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     5-hydroxy-7-(3,7,11,15-tetramethylhexadeca-2,6,10,11-tetraenyl)-2(3H)-benzofuranone
    相似度:71.4%
Planta Medica          2007          73          279-282
A New Benzofuranone and Anti-HIV Constituents from the Stems of Rhus chinensis
Qiong Gu,Rui-Rui Wang,Xue-Mei Zhang ,Yun-Hua Wang,Yong-Tang Zheng, Jun Zhou, Ji-Jun Chen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     compound 2
C27H38O4     相似度:71.4%
Journal of Natural Products          1989          Vol 52          614
Novel Prenylated Hydroxybenzoic Acid Derivatives from Piper saltuum
Anderson Maxwell, Dave Rampersad
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     2-geranylgeranyl-1,4-dihydroxybenzene
C26H38O2     相似度:71.4%
Journal of Natural Products          1995          Vol 58          893-896
A Bioactive Tetraprenylphenol from Lactarius lignyotus
Giovanni Vidari, Paola Vita-Finzi, Anna Maria Zanocchi, Guido Pedrali Noy
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     Compound 1
C25H38O2     相似度:71.4%
Bioorganic & Medicinal Chemistry Letters          1991          1          639-644
Linear sesterterpenes from the Caribbean sponge Thorecta horridus with inflammatory activity
Ernesto Fattorusso, Virginia Lanzotti, Silvana Magno, Luciano Mayol, Massimo Di Rosa and, Armando Ialenti
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     Compound 2
C25H38O2     相似度:71.4%
Bioorganic & Medicinal Chemistry Letters          1991          1          639-644
Linear sesterterpenes from the Caribbean sponge Thorecta horridus with inflammatory activity
Ernesto Fattorusso, Virginia Lanzotti, Silvana Magno, Luciano Mayol, Massimo Di Rosa and, Armando Ialenti
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     compound 4
C27H38O2     相似度:71.4%
Phytochemistry          1985          24          1047-1050
Tetraprenyltoluquinols from the brown alga Cystoseira jabukae
Vincenzo Amico, Francesca Cunsolo, Mario Piattelli, Giuseppe Ruberto
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     27-Methylidenesqualene
C31H50     相似度:71.4%
Tetrahedron Letters          2004          45          3093-3096
Enzymatic cyclization of 26- and 27-methylidenesqualene to novel unnatural C31 polyprenoids by squalene:hopene cyclase
Hideya Tanaka, Hiroshi Noguchi, Ikuro Abe
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     menaquinone-4-d7
C31H33D7O2     相似度:71.4%
Bioorganic & Medicinal Chemistry          2010          18          3116-3124
Structure–activity relationships in the conversion of vitamin K analogues into menaquinone-4. Substrates essential to the synthesis of menaquinone-4 in cultured human cell lines
Yoshitomo Suhara, Akimori Wada, Yoji Tachibana, Masato Watanabe, Kanae Nakamura, Kimie Nakagawa, Toshio Okano
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     eunicenone A
C29H44O4     相似度:71.4%
Tetrahedron          1993          49          9277-9284
Eunicenones A and B: Diterpenoid cyclohexenones of a rare skeletal class from a new species of the caribbean gorgonian eunicea
Jongheon Shin, William Fenical
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     geranylgeranyl 1,4-hydroquinone
C26H38O2     相似度:71.4%
Tetrahedron          2011          67          2591-2595
Fascioquinols A–F: bioactive meroterpenes from a deep-water southern Australian marine sponge, Fasciospongia sp.
Hua Zhang, Zeinab G. Khalil, Robert J. Capon
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     callophycoic acid F
C27H36O3     相似度:71.4%
The Journal of Organic Chemistry          2007          72          7343-7351
Callophycoic Acids and Callophycols from the Fijian Red Alga Callophycus serratus
Amy L. Lane, Elizabeth P. Stout, Mark E. Hay, Anne C. Prusak, Kenneth Hardcastle, Craig R. Fairchild, Scott G. Franzblau, Karine Le Roch, Jacques Prudhomme, William Aalbersberg, and Julia Kubanek
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     methylsqualene
C31H52     相似度:70.9%
Phytochemistry          2004          65          3159-3165
C31–C34 methylated squalenes from a Bolivian strain of Botryococcus braunii
Etienne Achitouv, Pierre Metzger, Marie-No?lle Rager, Claude Largeau
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     (2E,6E,12E,16E)-3,7,13,17,21-pentamethyl-10-(1-methylethenyl)-2,6,12,16,20-docosapentaen-1-ol
C30H50O     相似度:70%
Chemical & Pharmaceutical Bulletin          2005          53(8)          1037-1039
Cupaniol, a New Branched Polyprenol, from Cupania latifolia
Wataru SAKANE,Noriyuki HARA, Yoshinori FUJIMOTO,Yoshihisa TAKAISHI,Ricardo ACU?A,Coralia OSORIO,and Carmenza DUQUE
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     camelliol C
C30H50O     相似度:70%
Journal of Natural Products          1999          62          265-268
Camelliols A-C, Three Novel Incompletely Cyclized Triterpene Alcohols from Sasanqua Oil (Camellia sasanqua)
Toshihiro Akihisa, Koichi Arai, Yumiko Kimura, Kazuo Koike, Wilhelmus C. M. C. Kokke, Tsuyoshi Shibata, and Tamotsu Nikaido
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     squalene
    相似度:70%
Chemical & Pharmaceutical Bulletin          1989          37          1140-1142
FERN CONSTITUENTS : TWO NEW MALABARICATRIENES ISOLATED FROM Lemmaphyllum microphyllum var. obovatum
Kazuo MASUDA,Kenji SHIOJIMA and Hiroyuki AGETA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     squalene
    相似度:70%
Natural Product Research          1995          5          289-293
Sapelenin D, a New Acyclic Triterpenoid from the Stem Bark of Entandrophragma cylindricum
David Ngnokam; Georges Massiot; Christophe Bliard; Etienne Tsamo
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     squalene
    相似度:70%
Phytochemistry          1993          34          1603-1607
Sapelenins A, B and C, acyclic triterpenoids from the stem bark of Entandrophragma cylindricum
David Ngnokam, Georges Massiot, Jean-Marc Nuzillard, Joseph D. Connolly, Etienne Tsamo, Christophe Morin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     (9R,10S)-polypoda-8(26),13E,17E,21-tetraen-3β-ol
    相似度:70%
Organic Letters          2008          Vol.10,No.21          4959-4962
Importance of Saccharomyces cerevisiae Oxidosqualene-Lanosterol Cyclase Tyrosine 707 Residue for Chair-Boat Bicyclic Ring Formation and Deprotonation Reactions
Tung-Kung Wu, Tsai-Ting Wang, Cheng-Hsiang Chang, Yuan-Ting Liu, and Wen-Shiang Shie
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     squalene
    相似度:70%
Tetrahedron letters          1983          24          5733-5736
Fern constituents: Polypodatetraenes, novel bicyclic triterpenoids, isolated from polypodiaceous and aspidiaceous plants
Kenji Shiojima, Y?ko Arai, Kazuo Masuda, Toshifumi Kamada, Hiroyuki Ageta
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     sargaol acetate
C29H40O3     相似度:68.9%
Heterocycles          2010          81          625-635
Absolute Configuration of Sargaol Acetate Using DFT Calculations and Vibrational Circular Dichroism
Marcelo A. Mu?oz, Carlos Areche, Juana Rovirosa, Aurelio San-Martín, and Pedro Joseph-Nathan
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     Compound 3g
    相似度:68.9%
Bioorganic & Medicinal Chemistry Letters          2002          12          895-898
Evaluation of Morphogenic Regulatory Activity of Farnesoic acid and Its Derivatives against Candida albicans Dimorphism
Sanghee Kim, Eunkyung Kim, Dong-Sun Shin, Heonjoong Kang, Ki-Bong Oh
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

31 .     Compound 8
    相似度:68.9%
Bioorganic & Medicinal Chemistry Letters          1991          1          227-232
26-Hydroxysqualene and derivatives: substrates and inhibitors for squalene epoxidase
Mei Bai, Xiao-yi Xiao, Glenn D. Prestwich
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

32 .     methylation of 1-formyl-3-hydroxyneogrifolin
C26H38O4     相似度:67.8%
Phytochemistry          2002          59          731-737
Neogrifolin derivatives possessing anti-oxidative activity from the mushroom Albatrellus ovinus
Makiko Nukata, Toshihiro Hashimoto, Isao Yamamoto, Nobuki Iwasaki,Masami Tanaka, Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

33 .     (2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaen-1-ol
    相似度:67.8%
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
--------------------------------------------------------------------------------

34 .     bolegrevilol
C28H40O4     相似度:67.8%
Chemical & Pharmaceutical Bulletin          1989          37          1424-1425
BOLEGREVILOL, A NEW LIPID PEROXIDATION INHIBITOR FROM THE EDIBLE MUSHROOM SUILLUS GREVILLEI
Takaaki HAYASHI,Akio KANETOSHI,Mitsuhiko IKURA and Haruhisa SHIRAHAMA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

35 .     6-geranylgeranyl-2,4-dihydroxy-1-methoxybenzene
C27H40O3     相似度:67.8%
Journal of Natural Products          1989          Vol 52          941
Antimicrobial Tetraprenylpenols fron suillus granulatus
Corrado Triangali, Mario Piattelli, Corrada Geraci, Giovanni Nicolosi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

36 .     (2'E,6E,10'E)-2,9-Dimethyl-6-methoxyamino-7-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-7H-purinium
C28H44N5O     相似度:67.8%
Archiv der Pharmazie          2011          1          50-55
Antimicrobial and Antineoplastic Activities of Agelasine Analogs Modified in the Purine 2-Position
Heidi Roggen, Colin Charnock, Robert Burman, Jenny Felth, Rolf Larsson, Lars Bohlin, and Lise-Lotte Gundersen
Structure      13C NMR   碳谱模拟图
没有痛苦---没有收获
2楼2012-06-17 09:29:47
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杨大松

至尊木虫 (文坛精英)

送鲜花一朵
辛苦了,谢谢你,周末愉快,祝好。非常感谢
碧雪清谭
3楼2012-06-17 09:50:44
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