其中A1已经解出为软木三萜酮
A2还没解出来 附上碳谱数据 11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.1,28.2,28
.9,29.9,30.0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0
,35.1,35.3,35.5,35.9,36.0,37.0,37.7,38.3,38.9,39.2,40.7,41.6,42.7,43.0,47.3,4
9.1,49.6,53.1,61.2,72.7,76.3,122.0,141.5
其中有些峰很小 也给出积分了 觉得可能有些石油醚的溶剂峰 去除一些小峰之后的碳谱数据是
11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.2,28.9,30
.0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0,35.1,35.3
,35.5,35.9,36.0,37.7,38.9,39.2,40.7,41.6,42.7,43.0,47.3,49.1,49.6,53.1,61.2,7
2.7,76.3,122.0,141.5
哪位大侠可以用微谱数据帮忙查一下~
用的是去除小峰的碳谱：
查询模式：模糊查询
碳谱数据输入：
按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如：
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.2,28.9,30.0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0,35.1,35.3,35.5,35.9,36.0,37.7,38.9,39.2,40.7,41.6,42.7,43.0,47.3,49.1,49.6,53.1,61.2,72.7,76.3,122.0,141.5
溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值
匹配容差： (数字格式，可自行设定)
相似度：%(相似度>=50%)
查询结果：共查到591个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------
1 . 3β-hydroxy-35-(cyclohexyl-5'-propan-7'-one)-33-ethyl-34-methyl-bactereohopane
C47H82O2 相似度:70%
Chinese Chemical Letters 2011 22 81-84
A novel bacteriohopanoid from Celtis australis L. bark
Ruchi Badoni, Deepak Kumar Semwal, Prabhakar P. Badoni, Sudhir Kumar Kothiyal, Usha Rawat
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,6α-dihydroxy-5β-cholan-24-oate
C51H81NO6 相似度:66.6%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . 5α-stigmast-9(11)-en-3β-ol-tetraco santrienoic acid ester
相似度:65.3%
China Journal of Chinese Materia Medica 1996 21 666-667
Studies on Chemical Components of Cynomorium songaricum Rupr.
Xu Xiuzhi, Zhang Chengzhong and Li Chong
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,7α,12α-trihydroxy-5β-cholan-24-oate
C51H81NO7 相似度:64.7%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,7α-dihydroxy-5β-cholan-24-oate
C51H81NO6 相似度:64.7%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
6 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,12α-dihydroxy-5β-cholan-24-oate
C51H81NO6 相似度:62.7%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . N-(Cholest-5-en-3β-yl)-3β-hydroxyandrost-5-ene-17β-carboxamide
C47H75NO2 相似度:62%
Steroids 2009 74 88-94
Steroids linked with amide bond—Extended cholesterol
Ivan Černý, Miloš Buděšinský, Vladimir Pouzar, Pavel Drašar
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . daucosterol+stigmasterol-3-O-glucopyranoside
相似度:60.7%
Chinese Traditional and Herbal Drugs 2004 35 608-611
Studies on chemical constituents of Indigofera carlesii 2 1 2 下一页 尾页
A2还没解出来 附上碳谱数据 11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.1,28.2,28
.9,29.9,30.0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0
,35.1,35.3,35.5,35.9,36.0,37.0,37.7,38.3,38.9,39.2,40.7,41.6,42.7,43.0,47.3,4
9.1,49.6,53.1,61.2,72.7,76.3,122.0,141.5
其中有些峰很小 也给出积分了 觉得可能有些石油醚的溶剂峰 去除一些小峰之后的碳谱数据是
11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.2,28.9,30
.0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0,35.1,35.3
,35.5,35.9,36.0,37.7,38.9,39.2,40.7,41.6,42.7,43.0,47.3,49.1,49.6,53.1,61.2,7
2.7,76.3,122.0,141.5
哪位大侠可以用微谱数据帮忙查一下~
用的是去除小峰的碳谱：
查询模式：模糊查询
碳谱数据输入：
按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如：
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2
11.6,15.7,16.1,16.3,17.5,18.1,18.4,18.6,19.5,20.1,23.6,25.4,27.7,28.2,28.9,30.0,30.3,30.6,31.7,32.0,32.0,32.2,32.3,32.7,33.0,34.5,34.5,34.8,35.0,35.1,35.3,35.5,35.9,36.0,37.7,38.9,39.2,40.7,41.6,42.7,43.0,47.3,49.1,49.6,53.1,61.2,72.7,76.3,122.0,141.5
溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值
匹配容差： (数字格式，可自行设定)
相似度：%(相似度>=50%)
查询结果：共查到591个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------
1 . 3β-hydroxy-35-(cyclohexyl-5'-propan-7'-one)-33-ethyl-34-methyl-bactereohopane
C47H82O2 相似度:70%
Chinese Chemical Letters 2011 22 81-84
A novel bacteriohopanoid from Celtis australis L. bark
Ruchi Badoni, Deepak Kumar Semwal, Prabhakar P. Badoni, Sudhir Kumar Kothiyal, Usha Rawat
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
2 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,6α-dihydroxy-5β-cholan-24-oate
C51H81NO6 相似度:66.6%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
3 . 5α-stigmast-9(11)-en-3β-ol-tetraco santrienoic acid ester
相似度:65.3%
China Journal of Chinese Materia Medica 1996 21 666-667
Studies on Chemical Components of Cynomorium songaricum Rupr.
Xu Xiuzhi, Zhang Chengzhong and Li Chong
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
4 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,7α,12α-trihydroxy-5β-cholan-24-oate
C51H81NO7 相似度:64.7%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
5 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,7α-dihydroxy-5β-cholan-24-oate
C51H81NO6 相似度:64.7%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
6 . 5α,14α-cevanin-6-O-20β-hydroxy-3β-yl-3α,12α-dihydroxy-5β-cholan-24-oate
C51H81NO6 相似度:62.7%
Steroids 2009 74 424-434
Structural analysis and antitussive evaluation of five novel esters of verticinone and bile acids
Jiu-liang Zhang, Hui Wang, Hui-fang Pi, Han-li Ruan, Peng Zhang, Ji-zhou Wu
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
7 . N-(Cholest-5-en-3β-yl)-3β-hydroxyandrost-5-ene-17β-carboxamide
C47H75NO2 相似度:62%
Steroids 2009 74 88-94
Steroids linked with amide bond—Extended cholesterol
Ivan Černý, Miloš Buděšinský, Vladimir Pouzar, Pavel Drašar
Structure 13C NMR 碳谱模拟图
--------------------------------------------------------------------------------
8 . daucosterol+stigmasterol-3-O-glucopyranoside
相似度:60.7%
Chinese Traditional and Herbal Drugs 2004 35 608-611
Studies on chemical constituents of Indigofera carlesii 2 1 2 下一页 尾页