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milkbaby1204

银虫 (初入文坛)

[求助] 求微谱结构,详细,十万火急

化合物1碳谱数据(300 MHz, DMSO):202,;171,;144,;126,;69,;62,14,;61.14,;55,;42.47,;37.15,;36.36,;27.24,;26.23,;24.95.;23.08,;22.86,;21.49,;17.71,;16.30,;12.64,;


请回复详细的微谱推测结构
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yaolan123

禁虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★
感谢参与,应助指数 +1
milkbaby1204: 金币+5, ★★★很有帮助 2013-05-06 22:06:49
1 .     7,8-epoxy-1,3,11-cembratriene-15R(α),16-diol
C20H32O3     相似度:65%
Journal of Natural Products          2002          65          1809-1814
Semisynthesis of New Sarcophine Derivatives with Chemopreventive Activity
Isamu Katsuyama, Hesham Fahmy,Jordan K. Zjawiony, Sherief I. Khalifa,Raouf W. Kilada,Takao Konoshima, Midori Takasaki, and Harakuni Tokuda
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     3R,4R,7R,8R-diepoxy-13-keto-1R,11S-dolabell-12(18)-ene
C20H30O3     相似度:65%
Journal of Natural Products          2010          73          925-934
Dolabellane-Type Diterpenoids with Antiprotozoan Activity from a Southwestern Caribbean Gorgonian Octocoral of the Genus Eunicea
Xiaomei Wei, Abimael D. Rodríguez, Peter Baran and Raphael G. Raptis
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

3 .     (-)-1R,2S,7R,8R-18-keto-asperdiol
C20H30O3     相似度:65%
Bioorganic & Medicinal Chemistry          2013          21          242-256
Synthesis of cembranoid analogues and evaluation of their potential as quorum sensing inhibitors
Edisson Tello, Leonardo Castellanos, Carmenza Duque
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     pacificin A
C20H34O2     相似度:60%
Journal of Natural Products          2005          68          74-77
Prenylbicyclogermacrane Diterpenoids from the Formosan Soft Coral Nephthea pacifica
Ali A. H. El-Gamal, Shang-Kwei Wang, Chang-Feng Dai, I-Gin Chen, and Chang-Yih Duh
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     sargachromanol G
C27H38O4     相似度:60%
Journal of Natural Products          2005          68          716-723
Chromenes from the Brown Alga Sargassum siliquastrum
Kyoung Hwa Jang, Bong Ho Lee, Byoung Wook Choi, Hyi-Seung Lee, and Jongheon Shin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     lα,l0α-epoxy-2-oxofagonene
C20H3O4     相似度:60%
Planta Medica          1997          63          374-376
Erythroxan Diterpenes from Fagonia glutinosa
Maged S. Abdel-Kader, Abdallah A. Omar, and Frank R. Stermitz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     12-acetoxy-1(10)-aristolene
C17H26O2     相似度:60%
Journal of Natural Products          1993          Vol 56          508
Sesquiterpenoids and Norsesquiterpenoids from the Soft Coral Lemnalia africana
Jaroslaw Jurek, Paul J. Scheuer
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     compound 10
    相似度:60%
Phytochemistry          1996          41          217-223
Biologically active flavonoids and terpenoids from Egletes viscosa
Mary Anne S. Lima, Edilberto R. Silveira, Maria Silvania L. Marques, Regina Helena A. Santos, Maria Teresa P. Gambardela
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     crolechinol
C20H36O3     相似度:60%
Phytochemistry          1993          32          755-760
Diterpenes from Croton lechleri
Y. Cai, Z.P. Chen, J.D. Phillipson
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     compound 3b
C32H48O6     相似度:60%
Phytochemistry          1991          30          3379-3382
Iridals from Belamcanda chinensis and Iris japonica
Fumiko Abe, Rong-Fu Chen, Tatsuo Yamauchi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     Cyanthiwigin K
C20H32O2     相似度:60%
Tetrahedron          2002          58          7809-7819
The new bioactive diterpenes cyanthiwigins E–AA from the Jamaican sponge Myrmekioderma styx
Jiangnan Peng, Kelly Walsh, Valarie Weedman, Jennifer D Bergthold, John Lynch, Kuo L Lieu, Irwin A Braude, Michelle Kelly, Mark T Hamann
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     3S,4S,11S,12S,1E,7E-3,4:11,12-bisepoxy cembra-1,7-diene
C20H31O     相似度:60%
Tetrahedron          1992          48          3111-3120
New diterpenes from a new species of lobophytum soft coral of the South Andaman Coast
Chitti Subrahmanyam, Chirravuri Venkateswara Rao, V. Anjaneyulu, P. Satyanarayana, P.V. Subba Rao, Robert S. Ward, Andrew Pelter
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     (1R,3R,4S,7R,8R,11R,12E)-3,4-7,8-bisepoxy-dolabella-12-en-18-ol
C20H32O3     相似度:60%
Tetrahedron          1990          46          3851-3858
Two new dolabellane derivatives from the brown alga dictyota pardarlis
Anthony D. Wright, Gabriele M. König, Otto Sticher
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     Crolechinol
    相似度:60%
Natural Product Communications          2006          1          319-336
Clerodane Diterpenes from Croton Species: Distribution anda Compilation of their 13C NMR Spectral Data
Sebastião F. Palmeira Júnior, Lucia M. Conserva and José Maria Barbosa Filho
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     (3S,4S,11S,12S,1E,7E)-3,4:11,12-bisepoxycembra-1,7-diene
C20H32O2     相似度:60%
Australian Journal of Chemistry          1983          36          2289-2295
Studies of Australian soft corals. XXXIII. New cembranoid diterpenes from a Lobophytum species
BF Bowden, JC Coll and DM Tapiolas
Structure      13C NMR   碳谱模拟图
微微一笑
2楼2013-05-06 15:43:55
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milkbaby1204

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引用回帖:
2楼: Originally posted by yaolan123 at 2013-05-06 15:43:55
1 .     7,8-epoxy-1,3,11-cembratriene-15R(α),16-diol
C20H32O3     相似度:65%
Journal of Natural Products          2002          65          1809-1814
Semisynthesis of New Sarcophine Derivatives ...

是不是相似度从1到15,1的结构式最有可能的
3楼2013-05-06 22:10:50
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daliujia

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4楼2013-05-06 23:09:12
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daliujia

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5楼2013-05-06 23:11:22
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