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zhu13liang

木虫 (小有名气)

[求助] 求助一个用微谱解析的结构 85%相似也行

求助一个用微谱解析的结构  85%相似也行
碳谱数据:166.765,166.457,155.447,131.465,131.392,129.488,129.488,129.254,128.437,128.324,115.095,114.813,114.813,103.115,102.448,81.637,76.492,76.416,75.526,75.383,75.050,73.087,72.315,70.286,69.843,69.682,67.786,67.178,67.053,65.614,64.622,62.766,44.085,39.765,39.688,39.519,39.432,39.263,39.098,39.930,38.765,37.839,34.577,29.557,28.129,23.010,22.164,13.673,10.580
可能是苯乙醇苷类化合物,氢谱7.7附近有一个dd峰和t峰的重叠,7.0,6.7分别有两个2H的d峰,和两个1H的d峰
  希望解谱高手能帮个忙,谢谢
是用DMSO做的谱

[ Last edited by zhu13liang on 2012-4-14 at 08:03 ]
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zhu13liang

木虫 (小有名气)

送鲜花一朵
引用回帖:
3楼: Originally posted by kaola0916 at 2012-04-14 09:27:13:
楼主给出的上面碳数据,按从小到大的顺序,第10个碳信号数值,39.930,是不是应该为39.030啊!楼主确定一下。
这两种情况我都查了,结果一样。

帮忙重新查询一个微谱解析的结构、碳谱数据重新核对过,  85%相似也行碳谱数据:166.765,166.457,166.457,155.447,155.447,131.465,131.392,129.488,129.488,129.254,128.437,128.324,115.095,114.813,114.813,103.115,102.448,76.492,75.526,73.087,72.315,70.286,69.843,69.682,67.786,67.178,67.178,67.053,64.622,39.930,38.765,37.839,34.577,29.557,28.129,23.010,22.164,13.673,10.580
查询后,再送20金币
4楼2012-04-14 11:37:35
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kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
zhu13liang: 金币+20, ★有帮助, 谢谢了 2012-04-14 11:21:33
查询结果:共查到3个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     caretroside A
C52H80O21     相似度:53.8%
Phytochemistry          1996          42          1135-1139
Pregnane glycosides from Caralluma retrospiciens
Ahmed F. Halim, Ashraf T. Khalil
Structure      13C NMR   碳谱模拟图

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

2 .     acutanguloside C
C54H80O21     相似度:51.9%
Journal of Natural Products          2005          68          311-318
Acutangulosides A−F, Monodesmosidic Saponins from the Bark of Barringtonia acutangula
Clive Mills, Anthony R. Carroll, and Ronald J. Quinn
Structure      13C NMR   碳谱模拟图

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

3 .     cyanidin 3-[2-(glucosyl)-6-(4-(glucosyl)-p -coumaroyl)-glucoside]-5-[6-(malonyl)-glucoside]
C51H59O31     相似度:50%
Phytochemistry          2008          69          3139-3150
Tetra-acylated cyanidin 3-sophoroside-5-glucosides from the flowers of Iberis umbellata L. (Cruciferae)
Norio Saito, Fumi Tatsuzawa, Eri Suenaga, Kenjiro Toki, Koichi Shinoda,Atsushi Shigihara, Toshio Honda
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------
2楼2012-04-14 09:24:14
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kaola0916

铁杆木虫 (著名写手)

【答案】应助回帖

楼主给出的上面碳数据,按从小到大的顺序,第10个碳信号数值,39.930,是不是应该为39.030啊!楼主确定一下。
这两种情况我都查了,结果一样。

» 本帖已获得的红花(最新10朵)

3楼2012-04-14 09:27:13
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