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1012caijuan

新虫 (小有名气)

[求助] 这个碳谱,貌似是胆甾烯酮式的东西,可又几个碳数对不上,五环三萜类是不?

13C NMR (151 MHz, CDCl3) δ 140.85 (s), 121.66 (s), 71.82 (s), 60.32 (s), 56.87 (s), 56.21 (s), 50.28 (s), 45.99 (s), 42.40 (s), 39.88 (s), 37.35 (s), 36.57 (s), 36.17 (s), 34.08 (s), 31.99 (d, J = 7.3 Hz), 31.76 (s), 29.35 (s), 28.24 (s), 26.35 (s), 24.33 (s), 23.20 (s), 21.15 (s), 19.78 (s), 19.38 (s), 19.10 (s), 18.82 (s), 14.18 (s), 12.00 (s), 11.88 (s).
大侠,谁可以看看这个谱,你们觉得是上面哪一类啊?貌似是胆甾烯酮式的东西,可又几个碳数对不上,五环三萜类是不?求解
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1012caijuan

新虫 (小有名气)

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3楼: Originally posted by 天下无双ts at 2013-07-05 20:15:19
把碳谱按下列格式排列。帮你看看吧
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

11.88,12.00,14.18,18.82,19.10,19.38,19.78,21.15,23.20,24.33,26.35,28.24,29.35,31.76,31.99,34.08,36.17,36.57,37.35,39.88,42.40,45.99,50.28,56.21,56.87,60.32,71.82,121.66,140.85
4楼2013-07-05 20:54:20
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1012caijuan

新虫 (小有名气)

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2楼: Originally posted by wangkaibo123 at 2013-07-05 19:49:51
从小到大写下数据 帮你维普看看

11.88,12.00,14.18,18.82,19.10,19.38,19.78,21.15,23.20,24.33,26.35,28.24,29.35,31.76,31.99,34.08,36.17,36.57,37.35,39.88,42.40,45.99,50.28,56.21,56.87,60.32,71.82,121.66,140.85
5楼2013-07-05 20:55:29
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1012caijuan

新虫 (小有名气)

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6楼: Originally posted by wangkaibo123 at 2013-07-05 21:00:43
开链的四环三萜  

1 .     Stigmasterol
    相似度:93.1%
Acta Botanica Yunnanica          1995          17(1)          103-108
CHEMICAL CONSTITUENTS FROM CLERODENDRUM JAPONICUM
TIAN Jun, SUN H ...

这个答题上谷甾醇,谢谢啊!大侠,哈哈,弱弱的问一句啊,里面有两个碳无法对应,那个6位置上那个碳该怎么处理啊?
7楼2013-07-05 21:42:14
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1012caijuan

新虫 (小有名气)

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8楼: Originally posted by wangkaibo123 at 2013-07-05 22:02:23
哪个?...

位置在60.32的碳,这个怎么处理啊,加一个羟基??
9楼2013-07-05 22:08:22
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1012caijuan

新虫 (小有名气)

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10楼: Originally posted by wangkaibo123 at 2013-07-05 22:11:42
是的  加个羟基比较合理  可以 质谱确定下...

ok,好的,谢谢啊!!!
11楼2013-07-05 22:18:35
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1012caijuan

新虫 (小有名气)

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10楼: Originally posted by wangkaibo123 at 2013-07-05 22:11:42
是的  加个羟基比较合理  可以 质谱确定下...

12.90,14.05,17.55,18.16,19.63,19.92,20.66,20.89,22.67,23.44,24.75,28.59,29.09,29.23,29.34,29.69,30.19,31.92,33.10,33.58,34.77,37.01,37.04,39.43,39.65,42.82,44.61,48.24,51.24,51.75,55.97,56.33,66.37,66.50,79.42,82.14,82.70,130.76,132.39,135.17,135.43帮忙查下这个微谱好不??
12楼2013-07-06 11:31:05
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