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小蘑菇0018

木虫 (正式写手)

[求助] 微谱数据求助

第一个:
8.00, 11.33, 14.01, 22.49, 23.81, 28.02,28.23, 29.37, 29.45, 29.57, 30.00, 32.10, 38.71, 52.56, 80.26, 136.22, 169.66, 209.09

第二个:
12.25,12.29,15.55,19.00,21.06,21.15,21.29,24.96,25.34,28.84,30.88,31.85,32.82, 35.05,38.77,39.53, 40.47,43.33, 43.88,46.70,51.20,52.02, 55.08, 63.03, 68.11,68.74, 129.63, 137.88, 207.62

谢谢啊!急!
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【答案】应助回帖

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小蘑菇0018: 金币+15, 有帮助, 好像都不对,不过给了我一定的思路。 2013-03-17 22:29:25
第一个
1 .     Compound 16
C23H42O3     相似度:66.6%
Bioorganic & Medicinal Chemistry Letters          2004          14          1975-1977
Structure–activity relationships of untenone A and its derivatives for inhibition of DNA polymerases
Fumiyo Saito, Ryo Takeuchi, Tomoyuki Kamino, Kouji Kuramochi, Fumio Sugawara, Kengo Sakaguchi, Susumu Kobayashi
Structure      13C NMR   碳谱模拟图

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2 .     compound 7
C19H37N3O3     相似度:66.6%
Tetrahedron Letters          2004          45          9641-9643
An efficient total synthesis of sulfobacin A
Priti Gupta, S. Vasudeva Naidu, Pradeep Kumar
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

3 .     2,2-dimethyl-5-[1-(phenylthio)hexyl]tetrahydrofuran
C18H28OS     相似度:66.6%
Tetrahedron          2012          68          2728-2735
Enantioselective oxysulfenylation and oxyselenenylation of olefins catalyzed by chiral Brønsted acids
Huan Guan, Haining Wang, Deshun Huang, Yian Shi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

4 .     4-O-acetyl hygrophorone D12
C20H32O5     相似度:65%
Phytochemistry          2004          65          1061-1071
Hygrophorones A–G: fungicidal cyclopentenones from Hygrophorus species (Basidiomycetes)
Tilo Lübken,Jürgen Schmidt,Andrea Porzel,Norbert Arnold,Ludger Wessjohann
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

5 .     (2S)-tert-Butyl 2-(2-hydroxyhexadecanamido)-3-phenylpropanoate
C29H49NO4     相似度:65%
Bioorganic & Medicinal Chemistry          2011          19          735-743
Inhibition of secreted phospholipases A2 by 2-oxoamides based on a-amino acids: Synthesis, in vitro evaluation and molecular docking calculations
Varnavas D. Mouchlis, Victoria Magrioti, Efrosini Barbayianni, Nathan Cermak, Rob C. Oslund,Thomas M. Mavromoustakos, Michael H. Gelb, George Kokotos
Structure      13C NMR   碳谱模拟图

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6 .     (S)-tert-Butyl 2-(2-oxohexadecanamido)-3-phenylpropanoate
C29H47NO4     相似度:63.6%
Bioorganic & Medicinal Chemistry          2011          19          735-743
Inhibition of secreted phospholipases A2 by 2-oxoamides based on a-amino acids: Synthesis, in vitro evaluation and molecular docking calculations
Varnavas D. Mouchlis, Victoria Magrioti, Efrosini Barbayianni, Nathan Cermak, Rob C. Oslund,Thomas M. Mavromoustakos, Michael H. Gelb, George Kokotos
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

7 .     Nonyl-6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopyrrolidin-1-yl)hexanoate
C23H38O5N2     相似度:63.1%
Bioorganic & Medicinal Chemistry          2010          18          73-79
Synthesis, physico-chemical properties and penetration activity of alkyl-6-(2, 5-dioxopyrrolidin-1-yl)-2-(2-oxopyrrolidin-1-yl)hexanoates as potential transdermal penetration enhancers
Katerina Brychtova, Josef Jampilek, Radka Opatrilova, Ivan Raich, Oldrich Farsa, Jozef Csollei
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

8 .     (6S,7S,9R)-7-hydroxy-6,9-epoxynonadec-18-en-10-one
C19H34O3     相似度:63.1%
Tetrahedron          1998          54          2227-2242
Marine nematocides: Tetrahydrofurans from a southern Australian brown alga, Notheia anomala
Robert J. Capon, Russell A Barrow, Simone Rochfort, Michael Jobling, Colin Skene, Ernest Lacey, Jennifer H Gill, Thomas Friedel, David Wadsworth
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

9 .     (6S,9R)-6,9-epoxynonadec-18-ene-7,10-dione
C19H32O3     相似度:63.1%
Tetrahedron          1998          54          2227-2242
Marine nematocides: Tetrahydrofurans from a southern Australian brown alga, Notheia anomala
Robert J. Capon, Russell A Barrow, Simone Rochfort, Michael Jobling, Colin Skene, Ernest Lacey, Jennifer H Gill, Thomas Friedel, David Wadsworth
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

10 .     methyl (2E)-2-(1-hydroxy-2-oxopropyl)eicos-2-enoate
C24H44O4     相似度:61.1%
Helvetica Chimica Acta          2002          Vol. 85          1909
Chemical and Cytotoxic Constituents from the Stem of Machilus zuihoensis
Ming-Jen Chenga), Bolleddula Jayaprakasama), Tsutomu Ishikawab), Hiroko Sekic), Ian-Lih Tsaia),Jeh-Jeng Wangd), and Ih-Sheng Chen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

11 .     (E,R)-6,7-Dimethylhexadec-7-enoic Acid
C18H34O2     相似度:61.1%
Chemical & Pharmaceutical Bulletin          2008          56(6)          861-863
Structure of an Unsaturated Fatty Acid with Unique Vicinal Dimethyl Branches Isolated from the Okinawan Soft Coral of the Genus Sinularia
Kinzo WATANABE,Ryota MAKINO,Haruko TAKAHASHI,Kazuo IGUCHI,Hiroshi OHRUI,and Kazuaki AKASAKA
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

12 .     hygrophorone D12
C18H30O4     相似度:61.1%
Phytochemistry          2004          65          1061-1071
Hygrophorones A–G: fungicidal cyclopentenones from Hygrophorus species (Basidiomycetes)
Tilo Lübken,Jürgen Schmidt,Andrea Porzel,Norbert Arnold,Ludger Wessjohann
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

13 .     2-Ethyldodecanal
C20H32N4O4     相似度:61.1%
Journal of Natural Products          2006          69          863-870
Ethyl-Branched Aldehydes, Ketones, and Diketones from Caimans (Caiman and Paleosuchus; Crocodylia, Reptilia)
Karsten Krckert, Birte Flachsbarth, Stefan Schulz, Ute Hentschel, and Paul J. Weldon
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

14 .     (13E)-octadec-13-en-11-ynoic acid
C14H21O2     相似度:61.1%
Journal of Natural Products          2003          66          722-724
Acetylenic Acids from the Aerial Parts of Nanodea muscosa
N. El-Jaber, A. Estévez-Braun,A. G. Ravelo, O. Muñoz-Muñoz, A. Rodríguez-Afonso,and J. R. Murguia
Structure      13C NMR   碳谱模拟图

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15 .     methyl 6-octadecynoxylate
    相似度:61.1%
Journal of Natural Products          2003          66          1132-1135
Acetylenic Acids Inhibiting Azole-Resistant Candida albicans from Pentagonia gigantifolia
Xing-Cong Li,Melissa R. Jacob,Hala N. ElSohly,Dale G. Nagle,Troy J. Smillie, Larry A. Walker,and Alice M. Clark
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

16 .     methyl 6-nonadecynoxylate
    相似度:61.1%
Journal of Natural Products          2003          66          1132-1135
Acetylenic Acids Inhibiting Azole-Resistant Candida albicans from Pentagonia gigantifolia
Xing-Cong Li,Melissa R. Jacob,Hala N. ElSohly,Dale G. Nagle,Troy J. Smillie, Larry A. Walker,and Alice M. Clark
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

17 .     compound 5
C20H42N     相似度:61.1%
Journal of Natural Products          2000          63          1434-1436
Clathculins A and B, Two Novel Nitrogen-Containing Metabolites from the Sponge Clathrina aff. reticulum
Amira Rudi, Michael Schleyer,and Yoel Kashman
Structure      13C NMR   碳谱模拟图

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18 .     methyl 2-methoxy-6(Z)-hexadecenoate
C18H34O3     相似度:61.1%
Journal of Natural Products          1998          61          1543-1546
Facile Total Synthesis and Antimicrobial Activity of the Marine Fatty Acids (Z)-2-Methoxy-5-hexadecenoic Acid and (Z)-2-Methoxy-6-hexadecenoic Acid
Néstor M. Carballeira, Anastacio Emiliano, Norali Hernández-Alonso, and Fernando A. Gonzá lez
Structure      13C NMR   碳谱模拟图

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19 .     secoaggregatalactone A
C17H30O4     相似度:61.1%
Planta Medica          2007          73          1548-1553
Secoaggregatalactone-A from Lindera aggregata Induces Apoptosis in Human Hepatoma Hep G2 Cells
Chien-Tsong Lin,Fang-Hua Chu,Shang-Tzen Chang,Pin-Ju Chueh,Yu-Chang Su,King-Tsuen Wu,Sheng-Yang Wang
Structure      13C NMR   碳谱模拟图

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20 .     secolincomolide A
C18H32O4     相似度:61.1%
Planta Medica          2002          68          142-145
Cytotoxic Butanolides and Secobutanolides from the Stem Wood of Formosan Lindera communis
Ian-Lih Tsai,Chao-Hui Hung ,Chang-Yih Duh,Ih-Sheng Chen
Structure      13C NMR   碳谱模拟图  
第二个
1 .     (22E)-3β-fluoro-6β-hydroxystigmast-22-ene
C29H49OF     相似度:79.3%
Phytochemistry          2001          58          973-980
Synthesis and bioactivity of natural and C-3 fluorinated biosynthetic precursors of 28-homobrassinolide
Lydia R. Galagovsky, Eduardo G. Gros, Javier A. Ramírez
Structure      13C NMR   碳谱模拟图

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2 .     (22E)-3β -Bromo-5β ,6β -epoxystigmast-22-ene
    相似度:79.3%
Steroids          2004          69          713-720
In vitro and in vivo antiherpetic activity of three new synthetic brassinosteroid analogues
Flavia M. Michelini, Javier A. Ramírez, Alejandro Berra, Lydia R. Galagovsky, Laura E. Alché
Structure      13C NMR   碳谱模拟图

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3 .     5,6α-epoxystigmasterol
    相似度:79.3%
Phytochemistry          1998          47          789-797
On the cytotoxity of oxidized phytosterols isolated from photoautotrophic cell cultures of Chenopodium rubrum tested on meal-worms Tenebrio molitor
Werner Meyer, Harald Jungnickel, Markus Jandke, Konrad Dettner, Gerhard Spiteller
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

4 .     compound 3
    相似度:75.8%
Chemistry of Natural Compounds          2001          37          343-346
13C NMR SPECTRA OF 5- AND 7-BROMO-6-KETOSTEROIDS AND RELATED COMPOUNDS
N. V. Kovganko, S. N. Sokolov, and V. L. Survilo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

5 .     (22E)-5α-Stigmast-22-en-3β,6β-diol
C29H50O2     相似度:75.8%
Steroids          2000          65          329-337
Synthesis and bioactivity evaluation of brassinosteroid analogs
Javier A. Ramírez, Osvaldo M. Teme Centurión, Eduardo G. Gros, Lydia R. Galagovsky
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

6 .     24-ethyl-3β,6β-dihydroxycholest-22-ene disulfate
    相似度:75.8%
Steroids          2009          74          1057-1060
Synthesis and cytotoxic analysis of some disodium 3β,6β-dihydroxysterol disulfates
Jianguo Cui, Hui Wang, Yanmin Huang, Yi Xin, Aimin Zhou
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

7 .     stigmast-4,22-dien-3,6-dione
    相似度:75.8%
China Journal of Chinese Materia Medica          2011          Vol 36,Issue 7          891-895
Chemical constituents from petroleum ether portion of Abelmoschus esculentus
JIA Lu, GUO M ingm ing, LI Dong, JING Lin lin
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

8 .     (22E)-2β,3β-dihydroxy-5α-stigmast-22-en-6-one
C29H48O3     相似度:75.8%
Steroids          1994          59          463-467
Synthesis of new brassinosteroids with potential activity as antiecdysteroids
Carme Brosa
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

9 .     22E-3β-hydroxy-5α,6α-epoxyergosta-22-en-7-one
C28H44O3     相似度:75.8%
Journal of Shenyang Pharmaceutical University          2012          29          678-684
A new disecosteroid from an endolichenic fungal stain Sporormiella irregularis(No.71-11-4-1)
LI Yan-jun; LI Xiao-xia; CHEN Guo-dong; GAO Hao; GUO Liang-dong; YAO Xin-sheng
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

10 .     (22E)-24-ethyl-4α-methyl-5α-cholest-22-en-3β-ol
    相似度:73.3%
Fitoterapia          2005          76          433-438
A new dihydroxysterol from the marine phytoplankton Diacronema sp.
Amélia P. Rauter, Manuela M. Filipe, Carla Prata,João P. Noronha, Maria A.M. Sampayo,Jorge Justino,Jaime Bermejo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

11 .     (22E)-3β-Acetoxy-19-norstigmasta-1(10),5,22-triene
C30H46O2     相似度:73.3%
Tetrahedron          2012          68          3685-3691
Synthesis of aromatic stigmastanes: application to the synthesis of aromatic analogs of brassinosteroids
Sofía L. Acebedo, Fernando Alonso, Javier A. Ramírez, Lydia R. Galagovsky
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

12 .     (22E)-3α-fluorostigmast-22-en-6-one
C29H47OF     相似度:72.4%
Phytochemistry          2001          58          973-980
Synthesis and bioactivity of natural and C-3 fluorinated biosynthetic precursors of 28-homobrassinolide
Lydia R. Galagovsky, Eduardo G. Gros, Javier A. Ramírez
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

13 .     compound 6
    相似度:72.4%
Chemistry of Natural Compounds          2001          37          343-346
13C NMR SPECTRA OF 5- AND 7-BROMO-6-KETOSTEROIDS AND RELATED COMPOUNDS
N. V. Kovganko, S. N. Sokolov, and V. L. Survilo
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

14 .     (22E)-3β-Bromo-5α-stigmast-22-en-6-one
    相似度:72.4%
Steroids          2000          65          329-337
Synthesis and bioactivity evaluation of brassinosteroid analogs
Javier A. Ramírez, Osvaldo M. Teme Centurión, Eduardo G. Gros, Lydia R. Galagovsky
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

15 .     3,3-(Ethylenedioxy)-5α-stigmast-22-ene
C31H52O2     相似度:72.4%
Steroids          2002          67          291-304
The synthesis of spermine analogs of the shark aminosterol squalamine
Youheng Shu, Stephen R. Jones, William A. Kinney, Barry S. Selinsky
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

16 .     stigmasterol
    相似度:72.4%
China Journal of Chinese Materia Medica          2010          35          327-330
Triterpenes from Kalimeris indica
GONG Xiaojian; ZHOU Xin; ZHAO Chao; CHEN Huaguo; XU Wenqing; LONG Shangxiang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

17 .     stigmasterol
    相似度:72.4%
Chinese Traditional and Herbal Drugs          2010          41          204-206
金铁锁化学成分研究
陈华国; 李明; 龚小见; 周欣; 田园
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

18 .     5α,6α-epoxy-(22E,24R)-ergosta-8,22-diene-3β,7α-diol
    相似度:72.4%
Archives of Pharmacal Research          2002          25          851-855
Cytotoxic ergosterols from paecilomyces sp. J300
Hak Cheol Kwon, Sang Deuk Zee, Sae Yun Cho, Sang Un Choi and Kang Ro Lee
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

19 .     豆甾-7,22-二烯-3-酮
    相似度:72.4%
Journal of China Pharmaceutical University          1995          26          329-331
Studies on Constituents of Prunella vulgaris L.
Meng Zhengmu; He Liwen
Structure      13C NMR   碳谱模拟图

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20 .     (22E,24S)-3β-hydroxy-5α-stigmastan-22-en-6-one
C29H48O2     相似度:72.4%
Steroids          2012          77          91-99
Brassinosteroids and analogs as neuroprotectors: Synthesis and structure–activity relationships
Jihane Ismaili, Martin Boisvert, Fanny Longpré, Julie Carange, Céline Le Gall, Maria-Grazia Martinoli, Benoit Daoust
Structure      13C NMR   碳谱模拟图
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