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yuhaiqian

铜虫 (小有名气)

[求助] 求助三个微谱查询 已有1人参与

Hsb-13 13C NMR (126 MHz,CDCl3) δ  
16.37,23.59,24.41,25.73,29.83,30.77,34.51,35.36,40.21,40.73,46.53,66.79,68.88,75.11

Hsb-14 13C NMR (126 MHz,CDCl3) δ
20.65,29.83,55.45,56.41,56.56,97.08,106.01,108.95,117.18,127.6,136.68,138.57,156.86,157.53,157.77

Hsb-15 13C NMR (126 MHz,CDCl3) δ
13.71,14.15,18.51,18.64,19.1,20.51,22.72,29.21,29.38,29.72,30.6,31.8,31.95,44.3,47.47,55.39,56.31,56.44,64.69,76.78,77.04,77.29,96.97,106.48,108.31,114.87,116.11,116.51,117.82,120.29,128.21,131.84,136.67,136.88,153.67,156.6,157.29,157.6
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

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yuhaiqian: 金币+10, ★★★★★最佳答案 2013-12-16 14:32:14
查询结果:共查到7个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     Lyngbyastatin 8
C47H64N8O12     相似度:51.2%
Marine drugs          2009          7          528-538
Lyngbyastatins 8–10,Elastase Inhibitors with Cyclic Depsipeptide Scaffolds Isolated from the Marine Cyanobacterium Lyngbya semiplena
Jason C. Kwan,Kanchan Taori,Valerie J. Paul and Hendrik Luesch
Structure      13C NMR   碳谱模拟图

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

2 .     lyngbyastatin 5
C53H68N8O15     相似度:51.2%
Journal of Natural Products          2007          70          1593-1600
Lyngbyastatins 5–7, Potent Elastase Inhibitors from Floridian Marine Cyanobacteria, Lyngbya spp.
Kanchan Taori,Susan Matthew, James R. Rocca, Valerie J. Paul, and Hendrik Luesch
Structure      13C NMR   碳谱模拟图

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

3 .     cyanostatin A
C38H57N5O9     相似度:50%
Phytochemistry          2005          66          543-548
Leucine aminopeptidase M inhibitors, cyanostatin A and B,isolated from cyanobacterial water blooms in Scotland
Tomoharu Sano, Hiroo Takagi, Louise F. Morrison, James S. Metcalf,Geoffrey A. Codd, Kunimitsu Kaya
Structure      13C NMR   碳谱模拟图

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

4 .     compound 21
C53H84N10O10     相似度:50%
Tetrahedron Letters          2002          43          9405-9409
Total synthesis of (±)-martinelline
Chengfeng Xia, Linshen Heng, Dawei Ma
Structure      13C NMR   碳谱模拟图

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

5 .     tetrahydropenitrem A
C37H48ClNO6     相似度:50%
Journal of the Chemical Society, Perkin Transactions 1          1983                   1847-1856
Tremorgenic mycotoxins from Penicillium crustosum: isolation of penitrems A–F and the structure elucidation and absolute configuration of penitrem A
Amelia E. de Jesus, Pieter S. Steyn, Fanie R. van Heerden, Robert Vleggaar, Philippus L. Wessels and William E. Hull
Structure      13C NMR   碳谱模拟图

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

6 .     compound 26
C36H43NO6     相似度:50%
Bioorganic & Medicinal Chemistry          2010          18          6734-6741
Fluorescent schweinfurthin B and F analogs with anti-proliferative activity
Joseph J. Topczewski, Craig H. Kuder, Jeffrey D. Neighbors, Raymond J. Hohl, David F. Wiemer
Structure      13C NMR   碳谱模拟图

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

7 .     compound 54
C36H48O4S     相似度:50%
Bioorganic & Medicinal Chemistry          2011          19          7570-7581
Relevance of the C-5 position to schweinfurthin induced cytotoxicity
Joseph J. Topczewski, Michael P. Callahan, John G. Kodet, Jery D. Inbarasu, Nolan R. Mente, John A. Beutler, David F. Wiemer
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------
4楼2013-12-16 11:45:11
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查看全部 5 个回答

lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

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感谢参与,应助指数 +1
yuhaiqian: 金币+10, ★★★★★最佳答案, 非常感谢,第一次用这个,谢谢提醒 2013-12-16 14:32:49
查询结果:共查到657个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     dendrantheinoside A aglycone
C13H24O3     相似度:71.4%
Planta Medica          1992          58          373-375
Structural Elucidation of endranthemosides A and B:Two New f3-Ionone Glucosides from Dendranthema shiwogiku
Hideaki Otsuka, Yasuyuki Takeda,Kazuo Yamasaki, and Yoshio Takeda
Structure      13C NMR   碳谱模拟图

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

2 .     aglucone of dendranthemoside A
    相似度:71.4%
Phytochemistry          1994          35          1331-1334
Alangionosides A and B, ionol glycosides from leaves of Alangium premnifolium
Hideaki Otsuka, Kenji Kamada, Choei Ogimi, Eiji Hirata, Anki Takushi, Yoshio Takeda
Structure      13C NMR   碳谱模拟图

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

3 .     3S,5R,6S,9R)-3,6-dihydro-5,6-dihydro-β-ionol
    相似度:71.4%
Natural Product Research and Development          2001          13(4)          5-7
STUDY ON THE CHEMICAL CONSTITUENTS OF MEZZETTIOPSIS CREAGHII RIDL.
CHEN Bin; YANG Juan; LI Bo gang; ZHANG Guo lin
Structure      13C NMR   碳谱模拟图

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

4 .     Aglycone of crotonionoside C
C13H24O3     相似度:71.4%
Phytochemistry          2011          72          147-153
Crotonionosides A–G: Megastigmane glycosides from leaves of Croton cascarilloides Räuschel
Susumu Kawakami, Katsuyoshi Matsunami, Hideaki Otsuka, Takakazu Shinzato, Yoshio Takeda
Structure      13C NMR   碳谱模拟图

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

5 .     (1S,4S,6S)-1-(3-Hydroxy-but-1E-enyl)-2,2,6-trimethyl-cyclohexane-1,4-diol or (3S,5S,6S,9R)-3,6-Dihydroxy-5,6-dihydro-b-ionol
    相似度:71.4%
Journal of the Brazilian Chemical Society          2009          20          1921-1924
Megastimanes and Ergostane Type Steroid from Leaves Cratylia mollis (Leguminosae)
Luciano S. Lima, Marcos V. B. Lima, Juceni P. David, Ana M. Giulietti, Luciano P. de Queiroz and Jorge M. David
Structure      13C NMR   碳谱模拟图

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

6 .     9β-bromo-4,8,11,11-tetramethylbicyclo[6.3.0]undecen-4-ene
C15H25Br     相似度:66.6%
Journal of Natural Products          1994          Vol 57          738
Inhibition of Botrytis cinerea by New Sesquiterpenoid Compounds Obtained from the Rearrangement of Isocaryophyllene
Isidro G. Collado, Josefina Aleu, Antonio J. Macías-Sánchez, Rosario Hernández-Galán
Structure      13C NMR   碳谱模拟图

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

7 .     (8S,9R)-isocaryolan-9-ol
    相似度:66.6%
Journal of Natural Products          2013          76          1016-1024
Phytotoxic Activity and Metabolism of Botrytis cinerea and Structure–Activity Relationships of Isocaryolane Derivatives
Jociani Ascari, Maria Amélia Diamantino Boaventura, Jacqueline Aparecida Takahashi, Rosa Durán-Patrón, Rosario Hernández-Galán, Antonio J. Macías-Sánchez, and Isidro G. Collado
Structure      13C NMR   碳谱模拟图

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

8 .     9-bromo-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one
C14H21OBr     相似度:64.2%
Journal of Natural Products          2003          66          520-523
An Efficient Formal Synthesis of the Sesquiterpenoid Longifolene
Sasan Karimi, and Paula Tavares
Structure      13C NMR   碳谱模拟图

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

9 .     (3S,5R,6S,9R)-3,6-dihydroxy-5,6-dihydro-β-ionol
C13H2403     相似度:64.2%
Journal of Natural Products          1996          59          69-72
Absolute Structures of Two New C13-Norisoprenoids from Apollonias barbujana
Cirilo Perez and Juan Trujillo
Structure      13C NMR   碳谱模拟图

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

10 .     3-(1',6'-Epoxy-2',2',6'-trimethyl-cyclohexyl)propionsaremethylester
C13H22O3     相似度:64.2%
Helvetica Chimica Acta          1980          63          1833-1855
Photochemische Reaktionen 111. Mitteilung [1] Zur Photochemie , -ungesättigter , -Epoxyester I: Singulett- versus Triplettreaktivität
Alex Peter Alder, Hans Richard Wolf, Oskar Jeger
Structure      13C NMR   碳谱模拟图

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

11 .     9-epi-Kobusone
C14H22O2     相似度:64.2%
Phytochemistry          1994          35          1489-1494
Confirmation of structure and absolute stereochemistry of 9-epi-β-caryophyllene from Dacrydium cupressinum
Simon F.R. Hinkley, Nigel B. Perry, Rex T. Weavers
Structure      13C NMR   碳谱模拟图

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

12 .     7-megastigmene-3,6,9-triol
    相似度:64.2%
Natural Product Research and Development          2002          14(5)          26-28
FLAVONOIDS FROM KNEMA GLOBULARIA
MEI Wen li; NI Wei; HUA Yan; CHEN Chang xiang
Structure      13C NMR   碳谱模拟图

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

13 .     (1S,2R)-2-chlorocyclopropanecarboxylic acid (1S,2R,5S)-5-isopropyl-2-methylcyclohexyl ester
C14H23O2Cl     相似度:64.2%
Journal of the American Chemical Society          2002          124          10396-10415
Callipeltoside A: Total Synthesis, Assignment of the Absolute and Relative Configuration, and Evaluation of Synthetic Analogues
Barry M. Trost, Janet L. Gunzner, Olivier Dirat, and Young H. Rhee
Structure      13C NMR   碳谱模拟图

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

14 .     Dihydroedulan
C13H22O     相似度:64.2%
European Journal of Organic Chemistry          1989          1989          1195-1201
Epoxytetrahydroedulan, a New Terpenoid from the Hairpencils of Euploea (Lep.: Danainae) Butterflies
Wittko Francke, Stefan Schulz, Volker Sinnwell, Wilfried A. König and Yves Roisin
Structure      13C NMR   碳谱模拟图

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

15 .     (1S,2S)-Di-(-)-menthyl Cyclohex-4-ene-1,2-dicarboxylate
    相似度:64.2%
Journal of Medicinal Chemistry          1989          32          197-202
Synthesis and biological evaluation of a monocyclic, fully functional analog of compactin
Clayton H. Heathcock, Brian R. Davis, Cheri R. Hadley
Structure      13C NMR   碳谱模拟图

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

16 .     Wilsonol E (3S,4S,5S,6S,9R)
C13H26O3     相似度:64.2%
Journal of Natural Products          2013          76          1303-1312
Wilsonols A–L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii
Penghua Shu, Xialan Wei, Yongbo Xue, Weijie Li, Jinwen Zhang, Ming Xiang, Mengke Zhang, Zengwei Luo, Yan Li, Guangmin Yao, and Yonghui Zhang
Structure      13C NMR   碳谱模拟图

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

17 .     Wilsonol F
C13H26O3     相似度:64.2%
Journal of Natural Products          2013          76          1303-1312
Wilsonols A–L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii
Penghua Shu, Xialan Wei, Yongbo Xue, Weijie Li, Jinwen Zhang, Ming Xiang, Mengke Zhang, Zengwei Luo, Yan Li, Guangmin Yao, and Yonghui Zhang
Structure      13C NMR   碳谱模拟图

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

18 .     1,10-Epoxylepidozenol
    相似度:64.2%
The Journal of Organic Chemistry          1990          55          3677-3679
Cytotoxic hydroperoxylepidozenes from the actinia Anthopleura pacifica Uchida
Guo Chi Zheng, Akio Ichikawa, Midori O. Ishitsuka, Takenori Kusumi, Hiroshi Yamamoto, Hiroshi Kakisawa
Structure      13C NMR   碳谱模拟图

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

19 .     isothiocyanate
    相似度:62.5%
Experientia          1986          42          625-627
Minor nitrogenous sesquiterpenes from the marine spongeAxinella cannabina. A hypothesis for the biogenesis of the spiro-axane skeleton
P. Ciminiello, E. Fattorusso, S. Magno and L. Mayol
Structure      13C NMR   碳谱模拟图

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

20 .     compound 8
    相似度:62.5%
Australian Journal of Chemistry          1988          41          979-983
New Isothiocyanate Sesquiterpenes From the Australian Marine Sponge Acanthella pulcherrima
RJ Capon and JK Macleod
Structure      13C NMR   碳谱模拟图
2楼2013-12-16 11:44:41
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
yuhaiqian: 金币+10, ★★★★★最佳答案 2013-12-16 14:32:21
查询结果:共查到657个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     dendrantheinoside A aglycone
C13H24O3     相似度:71.4%
Planta Medica          1992          58          373-375
Structural Elucidation of endranthemosides A and B:Two New f3-Ionone Glucosides from Dendranthema shiwogiku
Hideaki Otsuka, Yasuyuki Takeda,Kazuo Yamasaki, and Yoshio Takeda
Structure      13C NMR   碳谱模拟图

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

2 .     aglucone of dendranthemoside A
    相似度:71.4%
Phytochemistry          1994          35          1331-1334
Alangionosides A and B, ionol glycosides from leaves of Alangium premnifolium
Hideaki Otsuka, Kenji Kamada, Choei Ogimi, Eiji Hirata, Anki Takushi, Yoshio Takeda
Structure      13C NMR   碳谱模拟图

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

3 .     3S,5R,6S,9R)-3,6-dihydro-5,6-dihydro-β-ionol
    相似度:71.4%
Natural Product Research and Development          2001          13(4)          5-7
STUDY ON THE CHEMICAL CONSTITUENTS OF MEZZETTIOPSIS CREAGHII RIDL.
CHEN Bin; YANG Juan; LI Bo gang; ZHANG Guo lin
Structure      13C NMR   碳谱模拟图

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

4 .     Aglycone of crotonionoside C
C13H24O3     相似度:71.4%
Phytochemistry          2011          72          147-153
Crotonionosides A–G: Megastigmane glycosides from leaves of Croton cascarilloides Räuschel
Susumu Kawakami, Katsuyoshi Matsunami, Hideaki Otsuka, Takakazu Shinzato, Yoshio Takeda
Structure      13C NMR   碳谱模拟图

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

5 .     (1S,4S,6S)-1-(3-Hydroxy-but-1E-enyl)-2,2,6-trimethyl-cyclohexane-1,4-diol or (3S,5S,6S,9R)-3,6-Dihydroxy-5,6-dihydro-b-ionol
    相似度:71.4%
Journal of the Brazilian Chemical Society          2009          20          1921-1924
Megastimanes and Ergostane Type Steroid from Leaves Cratylia mollis (Leguminosae)
Luciano S. Lima, Marcos V. B. Lima, Juceni P. David, Ana M. Giulietti, Luciano P. de Queiroz and Jorge M. David
Structure      13C NMR   碳谱模拟图

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

6 .     9β-bromo-4,8,11,11-tetramethylbicyclo[6.3.0]undecen-4-ene
C15H25Br     相似度:66.6%
Journal of Natural Products          1994          Vol 57          738
Inhibition of Botrytis cinerea by New Sesquiterpenoid Compounds Obtained from the Rearrangement of Isocaryophyllene
Isidro G. Collado, Josefina Aleu, Antonio J. Macías-Sánchez, Rosario Hernández-Galán
Structure      13C NMR   碳谱模拟图

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

7 .     (8S,9R)-isocaryolan-9-ol
    相似度:66.6%
Journal of Natural Products          2013          76          1016-1024
Phytotoxic Activity and Metabolism of Botrytis cinerea and Structure–Activity Relationships of Isocaryolane Derivatives
Jociani Ascari, Maria Amélia Diamantino Boaventura, Jacqueline Aparecida Takahashi, Rosa Durán-Patrón, Rosario Hernández-Galán, Antonio J. Macías-Sánchez, and Isidro G. Collado
Structure      13C NMR   碳谱模拟图

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

8 .     9-bromo-3,3,7-trimethyltricyclo[5.4.0.02,9]undecan-8-one
C14H21OBr     相似度:64.2%
Journal of Natural Products          2003          66          520-523
An Efficient Formal Synthesis of the Sesquiterpenoid Longifolene
Sasan Karimi, and Paula Tavares
Structure      13C NMR   碳谱模拟图

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

9 .     (3S,5R,6S,9R)-3,6-dihydroxy-5,6-dihydro-β-ionol
C13H2403     相似度:64.2%
Journal of Natural Products          1996          59          69-72
Absolute Structures of Two New C13-Norisoprenoids from Apollonias barbujana
Cirilo Perez and Juan Trujillo
Structure      13C NMR   碳谱模拟图

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

10 .     3-(1',6'-Epoxy-2',2',6'-trimethyl-cyclohexyl)propionsaremethylester
C13H22O3     相似度:64.2%
Helvetica Chimica Acta          1980          63          1833-1855
Photochemische Reaktionen 111. Mitteilung [1] Zur Photochemie , -ungesättigter , -Epoxyester I: Singulett- versus Triplettreaktivität
Alex Peter Alder, Hans Richard Wolf, Oskar Jeger
Structure      13C NMR   碳谱模拟图

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

11 .     9-epi-Kobusone
C14H22O2     相似度:64.2%
Phytochemistry          1994          35          1489-1494
Confirmation of structure and absolute stereochemistry of 9-epi-β-caryophyllene from Dacrydium cupressinum
Simon F.R. Hinkley, Nigel B. Perry, Rex T. Weavers
Structure      13C NMR   碳谱模拟图

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

12 .     7-megastigmene-3,6,9-triol
    相似度:64.2%
Natural Product Research and Development          2002          14(5)          26-28
FLAVONOIDS FROM KNEMA GLOBULARIA
MEI Wen li; NI Wei; HUA Yan; CHEN Chang xiang
Structure      13C NMR   碳谱模拟图

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

13 .     (1S,2R)-2-chlorocyclopropanecarboxylic acid (1S,2R,5S)-5-isopropyl-2-methylcyclohexyl ester
C14H23O2Cl     相似度:64.2%
Journal of the American Chemical Society          2002          124          10396-10415
Callipeltoside A: Total Synthesis, Assignment of the Absolute and Relative Configuration, and Evaluation of Synthetic Analogues
Barry M. Trost, Janet L. Gunzner, Olivier Dirat, and Young H. Rhee
Structure      13C NMR   碳谱模拟图

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

14 .     Dihydroedulan
C13H22O     相似度:64.2%
European Journal of Organic Chemistry          1989          1989          1195-1201
Epoxytetrahydroedulan, a New Terpenoid from the Hairpencils of Euploea (Lep.: Danainae) Butterflies
Wittko Francke, Stefan Schulz, Volker Sinnwell, Wilfried A. König and Yves Roisin
Structure      13C NMR   碳谱模拟图

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

15 .     (1S,2S)-Di-(-)-menthyl Cyclohex-4-ene-1,2-dicarboxylate
    相似度:64.2%
Journal of Medicinal Chemistry          1989          32          197-202
Synthesis and biological evaluation of a monocyclic, fully functional analog of compactin
Clayton H. Heathcock, Brian R. Davis, Cheri R. Hadley
Structure      13C NMR   碳谱模拟图

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

16 .     Wilsonol E (3S,4S,5S,6S,9R)
C13H26O3     相似度:64.2%
Journal of Natural Products          2013          76          1303-1312
Wilsonols A–L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii
Penghua Shu, Xialan Wei, Yongbo Xue, Weijie Li, Jinwen Zhang, Ming Xiang, Mengke Zhang, Zengwei Luo, Yan Li, Guangmin Yao, and Yonghui Zhang
Structure      13C NMR   碳谱模拟图

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

17 .     Wilsonol F
C13H26O3     相似度:64.2%
Journal of Natural Products          2013          76          1303-1312
Wilsonols A–L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii
Penghua Shu, Xialan Wei, Yongbo Xue, Weijie Li, Jinwen Zhang, Ming Xiang, Mengke Zhang, Zengwei Luo, Yan Li, Guangmin Yao, and Yonghui Zhang
Structure      13C NMR   碳谱模拟图

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

18 .     1,10-Epoxylepidozenol
    相似度:64.2%
The Journal of Organic Chemistry          1990          55          3677-3679
Cytotoxic hydroperoxylepidozenes from the actinia Anthopleura pacifica Uchida
Guo Chi Zheng, Akio Ichikawa, Midori O. Ishitsuka, Takenori Kusumi, Hiroshi Yamamoto, Hiroshi Kakisawa
Structure      13C NMR   碳谱模拟图

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

19 .     isothiocyanate
    相似度:62.5%
Experientia          1986          42          625-627
Minor nitrogenous sesquiterpenes from the marine spongeAxinella cannabina. A hypothesis for the biogenesis of the spiro-axane skeleton
P. Ciminiello, E. Fattorusso, S. Magno and L. Mayol
Structure      13C NMR   碳谱模拟图

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

20 .     compound 8
    相似度:62.5%
Australian Journal of Chemistry          1988          41          979-983
New Isothiocyanate Sesquiterpenes From the Australian Marine Sponge Acanthella pulcherrima
RJ Capon and JK Macleod
Structure      13C NMR   碳谱模拟图
3楼2013-12-16 11:44:59
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lifeliuyan

至尊木虫 (职业作家)

温馨建议:建议以后 每个求助里边只放一个化合物的数据 否则应助起来很麻烦
5楼2013-12-16 11:45:54
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