本人是药化新手,分离的化合物老板只让做碳谱和氢谱,哪个学校可以使用微谱数据库,帮我检索一下下面三个碳谱数据,需要能得知一个大致的母核结构。为表诚意,把刚注册的新号所获得的5个金币全部奉送。
化合物1的碳谱:
197.69,175.25,142.30,140.40,137.41,129.43,125.68,124.11,79.30,77.28,75.65,68.26,51.31,49.50,48.34,43.64,39.57,35.04,29.18,24.93,23.60,21.49,19.96,15.60,13.50
化合物2的碳谱:
196.48,172.09,165.44,163.35,148.88,137.53,131.57,114.18,113.71,102.97,72.93,43.67,33.74,32.67,27.69,24.06,19.76
化合物3的碳谱:
206.10,171.78,160.74,159.57,136.26,118.68,112.07,102.64,72.66,68.12,51.88,51.36,40.48,33.96,32.03,28.08,21.33,20.82,18.78
再次
化合物1
1 . aspochalasin D
C24H35NO4 相似度:96%
The Journal of Antibiotics 2001 54 379-381
Selective Cytotoxicity and Stereochemistry of Aspochalasin D
TAIJIRO TOMIKAWA,KAZUO SHIN-YA,TAISEI KINOSHITA,ATSUSHI MIYAJIMA,HARUO SETO and YOICHI HAYAKAWA
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . aspochalasin Z
C24H35NO2 相似度:88%
The Journal of Antibiotics 2004 57 715-720
Aspochalamins A-D and Aspochalasin Z Produced by the Endosymbiotic Fungus Aspergillus niveus LU 9575 II. Structure Elucidation
ALEXANDRA HÖLTZEL,DIETMAR G. SCHMID,GRAEME J. NICHOLSON,PHILIPP KRASTEL,AXEL ZEECK,KLAUS GEBHARDT,HANS-PETER FIEDLER and GÜNTHER JUNG
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . 17,18-di-O-acetyl aspochalasin D
相似度:82.1%
The Journal of Organic Chemistry 1997 62 2148-2151
Phomacins: Three Novel Antitumor Cytochalasan Constituents Produced by a Phoma sp.
Khisal A. Alvi, Bipin Nair, Henry Pu, Rocky Ursino, Cathy Gallo, and Ursula Mocek
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . aspochalasin H
C24H35NO5 相似度:76%
The Journal of Antibiotics 2002 55 666-668
Structure of Aspochalasin H, a New Member of the Aspochalasin Family
TAIJIRO TOMIKAWA,KAZUO SHIN-YA,HARUO SETO,NORIYUKI OKUSA,TAKAYUKI KAJIURA and YOICHI HAYAKAWA
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . scutebarbatine H
C26H31NO7 相似度:73.0%
Chemical & Pharmaceutical Bulletin 2007 55(8) 1218-1221
Five New neo-Clerodane Diterpenoid Alkaloids from Scutellaria barbata with Cytotoxic Activities
Sheng-Jun DAI,Gong-Fu WANG, Meng CHEN, Ke LIU, and Li SHEN
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
6 . compound 2
C26H38O9 相似度:73.0%
Natural Product Communications 2010 5 669-674
Eudesmanolides and Methyl Ester Derivatives fromDimerostemma arnottii
Sergio Ricardo Ambrosio, Ricardo Stefani, Vladimir Constantino Gomes Heleno,Marcio Antônio de Menezes, Antonio Gilberto Ferreira, Paulo Gustavo BarboniDantas Nascimento , Mara Angelina Galvão Magenta and Fernando Batista Da Costa
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . aspochalasin K
C25H39NO5 相似度:72%
Journal of Natural Products 2004 67 328-332
Aspochalasins I, J, and K: Three New Cytotoxic Cytochalasans of Aspergillus flavipes from the Rhizosphere of Ericameria laricifolia of the Sonoran Desert
Guang-Xiong Zhou, E. M. Kithsiri Wijeratne, Donna Bigelow,Leland S. Pierson, Hans D. VanEtten, and A. A. Leslie Gunatilaka
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . aspochalasin R
相似度:72%
Chinese Chemical Letters 2010 21 824-826
Three new aspochalasin derivatives from the marine-derived fungus Spicaria elegans
Zhen Jian Lin; Tian Jiao Zhu; Li Chen; Qian Qun Gu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
9 . aspochalasin T
C24H35NO5 相似度:72%
Chinese Chemical Letters 2010 21 824-826
Three new aspochalasin derivatives from the marine-derived fungus Spicaria elegans
Zhen Jian Lin; Tian Jiao Zhu; Li Chen; Qian Qun Gu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
10 . compound 14a
C24H37NO4 相似度:72%
Tetrahedron 2012 68 159-165
Construction of A/E/F ring systems of C19-diterpenoid alkaloids with both C-1 and C-6 oxygen functions
Zhi-Gang Liu, Liang Xu, Qiao-Hong Chen, Feng-Peng Wang 2 1 2 下一页 尾页
化合物1的碳谱:
197.69,175.25,142.30,140.40,137.41,129.43,125.68,124.11,79.30,77.28,75.65,68.26,51.31,49.50,48.34,43.64,39.57,35.04,29.18,24.93,23.60,21.49,19.96,15.60,13.50
化合物2的碳谱:
196.48,172.09,165.44,163.35,148.88,137.53,131.57,114.18,113.71,102.97,72.93,43.67,33.74,32.67,27.69,24.06,19.76
化合物3的碳谱:
206.10,171.78,160.74,159.57,136.26,118.68,112.07,102.64,72.66,68.12,51.88,51.36,40.48,33.96,32.03,28.08,21.33,20.82,18.78
再次
化合物1
1 . aspochalasin D
C24H35NO4 相似度:96%
The Journal of Antibiotics 2001 54 379-381
Selective Cytotoxicity and Stereochemistry of Aspochalasin D
TAIJIRO TOMIKAWA,KAZUO SHIN-YA,TAISEI KINOSHITA,ATSUSHI MIYAJIMA,HARUO SETO and YOICHI HAYAKAWA
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . aspochalasin Z
C24H35NO2 相似度:88%
The Journal of Antibiotics 2004 57 715-720
Aspochalamins A-D and Aspochalasin Z Produced by the Endosymbiotic Fungus Aspergillus niveus LU 9575 II. Structure Elucidation
ALEXANDRA HÖLTZEL,DIETMAR G. SCHMID,GRAEME J. NICHOLSON,PHILIPP KRASTEL,AXEL ZEECK,KLAUS GEBHARDT,HANS-PETER FIEDLER and GÜNTHER JUNG
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . 17,18-di-O-acetyl aspochalasin D
相似度:82.1%
The Journal of Organic Chemistry 1997 62 2148-2151
Phomacins: Three Novel Antitumor Cytochalasan Constituents Produced by a Phoma sp.
Khisal A. Alvi, Bipin Nair, Henry Pu, Rocky Ursino, Cathy Gallo, and Ursula Mocek
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . aspochalasin H
C24H35NO5 相似度:76%
The Journal of Antibiotics 2002 55 666-668
Structure of Aspochalasin H, a New Member of the Aspochalasin Family
TAIJIRO TOMIKAWA,KAZUO SHIN-YA,HARUO SETO,NORIYUKI OKUSA,TAKAYUKI KAJIURA and YOICHI HAYAKAWA
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . scutebarbatine H
C26H31NO7 相似度:73.0%
Chemical & Pharmaceutical Bulletin 2007 55(8) 1218-1221
Five New neo-Clerodane Diterpenoid Alkaloids from Scutellaria barbata with Cytotoxic Activities
Sheng-Jun DAI,Gong-Fu WANG, Meng CHEN, Ke LIU, and Li SHEN
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
6 . compound 2
C26H38O9 相似度:73.0%
Natural Product Communications 2010 5 669-674
Eudesmanolides and Methyl Ester Derivatives fromDimerostemma arnottii
Sergio Ricardo Ambrosio, Ricardo Stefani, Vladimir Constantino Gomes Heleno,Marcio Antônio de Menezes, Antonio Gilberto Ferreira, Paulo Gustavo BarboniDantas Nascimento , Mara Angelina Galvão Magenta and Fernando Batista Da Costa
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . aspochalasin K
C25H39NO5 相似度:72%
Journal of Natural Products 2004 67 328-332
Aspochalasins I, J, and K: Three New Cytotoxic Cytochalasans of Aspergillus flavipes from the Rhizosphere of Ericameria laricifolia of the Sonoran Desert
Guang-Xiong Zhou, E. M. Kithsiri Wijeratne, Donna Bigelow,Leland S. Pierson, Hans D. VanEtten, and A. A. Leslie Gunatilaka
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . aspochalasin R
相似度:72%
Chinese Chemical Letters 2010 21 824-826
Three new aspochalasin derivatives from the marine-derived fungus Spicaria elegans
Zhen Jian Lin; Tian Jiao Zhu; Li Chen; Qian Qun Gu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
9 . aspochalasin T
C24H35NO5 相似度:72%
Chinese Chemical Letters 2010 21 824-826
Three new aspochalasin derivatives from the marine-derived fungus Spicaria elegans
Zhen Jian Lin; Tian Jiao Zhu; Li Chen; Qian Qun Gu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
10 . compound 14a
C24H37NO4 相似度:72%
Tetrahedron 2012 68 159-165
Construction of A/E/F ring systems of C19-diterpenoid alkaloids with both C-1 and C-6 oxygen functions
Zhi-Gang Liu, Liang Xu, Qiao-Hong Chen, Feng-Peng Wang 2 1 2 下一页 尾页