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莀Cissi

木虫 (小有名气)

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专业: 天然药物化学

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如题，微谱求助，谢谢！
DMSO
16.3 ,16.6 ,16.8 ,18.4 ,19.5 ,21.0 ,24.2 ,25.3 ,27.6 ,28.5 ,30.5 ,32.6 ,35.3 ,36.6 ,37.5 ,38.8 ,39.0 ,41.5 ,45.5 ,47.0 ,49.1 ,49.2 ,51.6 ,55.5 ,62.7 ,77.1 ,110.2 ,114.7 ,115.2 ,116.2 ,121.9 ,125.8 ,145.4 ,146.1 ,148.9 ,150.6 ,167.0 ,177.7

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_*@.@*_昨天是段过去，明天是个谜团，而今天是个礼物，像珍惜礼物一样珍惜今天吧！

1楼 2015-06-01 21:47:06

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wangkaibo123

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莀Cissi: 金币+8 2015-06-01 23:28:02

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
16.3 ,16.6 ,16.8 ,18.4 ,19.5 ,21.0 ,24.2 ,25.3 ,27.6 ,28.5 ,30.5 ,32.6 ,35.3 ,36.6 ,37.5 ,38.8 ,39.0 ,41.5 ,45.5 ,47.0 ,49.1 ,49.2 ,51.6 ,55.5 ,62.7 ,77.1 ,110.2 ,114.7 ,115.2 ,116.2 ,121.9 ,125.8 ,145.4 ,146.1 ,148.9 ,150.6 ,167.0 ,177.7
溶剂选项：全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O CD3COOD C4D8O2 D2O CF3COOD CD3OD 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%)
碳谱库：  Nat Syn

查询结果：共查到395个化合物(查询结果仅供参考)
--------------------------------------------------------------------------------

1 .    3β-Hydroxy-27-trans-caffeoyloxylup-20(29)-en-28-oic acid methyl ester
C40H56O7    相似度:85%
Natural Product Communications       2008       3       149-154
Triterpenoids and Alkaloids from the Roots ofPeganum nigellastrum
Zhongze Ma, Yoshio Hano, Feng Qiu, Gang Shao, Yingjie Chen and Taro Nomura
Structure    13C NMR 碳谱模拟图
--------------------------------------------------------------------------------

2 .    3β-hydroxy-27-(4-hydroxy-3-methoxy2E2cinnamoyloxy)-lup-20(29)-en-28-oic acid
C30H48O3    相似度:82.5%
Acta Botanica Sinica       2002       44       354-358
Triterpenoids from the Dai Medicinal Plant Winchia calophylla
ZHU Wei-Ming, SHEN Yue-Mao, HONG Xin, ZUO Guo-Ying, YANG Xiao-Sheng, HAO Xiao-Jiang
Structure    13C NMR 碳谱模拟图
--------------------------------------------------------------------------------

3 .    3α-Hydroxy-27-trans-caffeoyloxylup-20(29)-en-28-oic acid methyl ester
C40H56O7    相似度:82.5%
Natural Product Communications       2008       3       149-154
Triterpenoids and Alkaloids from the Roots ofPeganum nigellastrum
Zhongze Ma, Yoshio Hano, Feng Qiu, Gang Shao, Yingjie Chen and Taro Nomura
Structure    13C NMR 碳谱模拟图
--------------------------------------------------------------------------------

4 .    pyracrenic acid
相似度:81.5%
Chinese Traditional and Herbal Drugs       2004       35       241-242
Study on chemical constituents from stem of Photinia parvifolia
LI Yuan; ZHANG Dong-ming; YU Shi-shan
Structure    13C NMR 碳谱模拟图
--------------------------------------------------------------------------------

5 .    3β,20(S),24(R)-trihydroxyldammar-25-ene 3-caffeate
C39H58O6    相似度:79.4%
Planta Medica       2006       72       370-372
Novel Bioactive Dammarane Caffeoyl Esters from Celastrus rosthornianus
Kui-wu Wang , Cui-rong Sun , Xiao-dan Wu , Yuan-jiang Pan
Structure    13C NMR 碳谱模拟图
--------------------------------------------------------------------------------

6 .    2-O-caffeoylalphitolic acid
C39H54O7    相似度:79.4%
Chinese Chemical Letters       2002       13       1181-1184
Two New Triterpene Esters from Daphniphyllum oldhami
Zhi Yu SHAO, Da Yuan ZHU, Yue Wei GUO
Structure    13C NMR 碳谱模拟图
--------------------------------------------------------------------------------

7 .    3β,20(S),24(S)-trihydroxyldammar-25-ene 3-caffeate
C39H58O6    相似度:76.9%
Planta Medica       2006       72       370-372
Novel Bioactive Dammarane Caffeoyl Esters from Celastrus rosthornianus
Kui-wu Wang , Cui-rong Sun , Xiao-dan Wu , Yuan-jiang Pan
Structure    13C NMR 碳谱模拟图
--------------------------------------------------------------------------------

8 .    compound 1
C39H54O5    相似度:76.9%
Phytochemistry       1999       51       683-687
Triterpene caffeoyl esters and diterpenes from Celastrus stephanotifolius
Bei Chen, Hongquan Duan, Yoshihisa Takaishi
Structure    13C NMR 碳谱模拟图

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Domyallbesttohaveahappylife.

2楼2015-06-01 22:44:41