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向文非

至尊木虫 (著名写手)

[求助] 求助微谱数据

化合物碳谱数据如下:
14.34,19.71,20.19,28.83,31.67,66.22,72.45,129.99,132.33,132.38.133.75,168.28
谢谢   !!!
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jasminelw

铁杆木虫 (正式写手)

引用回帖:
3楼: Originally posted by 向文非 at 2013-07-11 00:16:17
搜了你给的结构  硬是没搞对  一直觉得有点问题  不知可不可以给重新搜下  万分感谢  14.34,19.71,19.71,20.19,28.83,31.67,66.22,72.45,129.99,132.33,132.38.133.75,168.28...

查询结果:共查到561个化合物(查询结果仅供参考)
1 .     phthalic acid,butyl isobuty ester
    相似度:92.3%
China Journal of Chinese Materia Medica          2007          32          1295-1298
Studies on Chemical Constituents of Phlomis medicinalis II
YU Zhenxi, WANG Gangli, DAI Zhong, BLANBA Ciren, LIN Ruichao
Structure      13C NMR   碳谱模拟图
2 .     phthalic acid,butyl isobutyl ester
    相似度:92.3%
Chinese Pharmaceutical Journal          2007          42          1295-1298
Studies on Chemical Constituents of Phlomis medicinalis Ⅱ
YU Zhen-xi, WANG Gang-li, DAI Zhong, BIANBA Ci-ren, LIN Rui-chao
Structure      13C NMR   碳谱模拟图
3 .     1,4-benzenedicarboxylic acid 1-butyl-4-(2-methylpropyl) ester
C16H22O4     相似度:92.3%
Acta Pharmaceutica Sinica          2012          47          1179-1182
A new monoterpenoid glucoside from the twigs of Chamaecyparis obtusa var.breviramea f.crippsii
XU Jian; ZHANG Yu-mei; CHEN Ke-li; TAN Ning-hua; LIU Yi-mei
Structure      13C NMR   碳谱模拟图
4 .     邻苯二甲酸丁酯异丁酯
    相似度:92.3%
Journal of Chinese Medicinal Materials          2008          31          1508-1510
Studies on Chemical Constituents from Zephyranthes candida
WU Zhi-ping, CHEN Yu, WANG Ming, DONG Yun-fa, XIA Bing, FENG Xu
Structure      13C NMR   碳谱模拟图
5 .     phthalic acid butyl isobutyl ester
    相似度:84.6%
Natural Product Research and Development          2009          21          916-918
Studies on the Secondary Metabolites of Endophytic Fungus Epicoccum sp. Isolated from Azadirachta indica
WANG Li-dong; WU Shao-hua; CHEN You-wei; YU Ying; YANG Li-yuan; LI Shao-lan; LI Zhi-ying
Structure      13C NMR   碳谱模拟图
6 .     n-butyl isobutyl terephthalate
    相似度:75%
Natural Product Research and Development          2013          25          1-6
Secondary Metabolites of Marine-derived Fungus Penicillium oxalicum SCSGAF 0023 and Their Antifouling and Enzyme-inhibitory Activities
SUN Yu-lin, CHEN Yin, XU Xin-ya, ZHANG Xiao-yong, ZHENG Zhi-hui, NONG Xu-hua, BAO Jie, QI Shu-hua
Structure      13C NMR   碳谱模拟图
7 .     n-butyl phthalate
    相似度:69.2%
Marine drugs          2009          7          341-354
A Marine Sulfate-Reducing Bacterium Producing Multiple Antibiotics: Biological and Chemical Investigation
Yi Zhang,Jun Mu,Xiaojie Gu,Chenyan Zhao,Xiaoliang Wang and Zeping Xie
Structure      13C NMR   碳谱模拟图
8 .     (5R)-1-azabicyclo[3.2.1]octan-3-one•hydrochloride
C7H11NO     相似度:69.2%
Journal of Heterocyclic Chemistry          2008          45          247-257
Preparation of novel azabicyclic amines and 7 nicotinic acetylcholine receptor activity of derived aryl amides
Daniel P. Walker,Brad A. Acker,E. Jon Jacobsen and Donn G. Wishka
Structure      13C NMR   碳谱模拟图
9 .     butyl isobutyl phthalate
C16H22O4     相似度:69.2%
Phytotherapy Research          2010          24          1588-1591
α-glucosidase inhibition and the in vivo hypoglycemic effect of butyl-isobutyl-phthalate derived from the Laminaria japonica rhizoid
Tong Bu, Ming Liu, Lanhong Zheng, Yuewei Guo and Xiukun Lin
Structure      13C NMR   碳谱模拟图
10 .     butyl isobutyl phthalate
C16H22O4     相似度:69.2%
Chinese Traditional and Herbal Drugs          2012          43          653-657
Chemical constituents in twigs and leaves of Melodinus fusiformis
WANG Ding-wei; LUO Xiao-dong; JIANG Bei
Structure      13C NMR   碳谱模拟图
11 .     1,2-Benzenedicarboxylic acid,dibuty ester
    相似度:69.2%
Journal of Shenyang Pharmaceutical University          2011          28          875-878
The chemical constituents from whole plant of Reineckia carnea(Andr.) Kunth
CHEN, Ling-li, HAN, Na, WANG, Yi-chun, HUANG, Ting, XUE, Rui, YIN, Jun
Structure      13C NMR   碳谱模拟图
12 .     iridodial dienol diacetate
C14H20O4     相似度:64.2%
Phytochemistry          1992          31          1653-1657
Cyclopentanomonoterpene enol acetates from Nepeta leucophylla
Albert T. Bottini, Vasu Dev, G.C. Shah, C.S. Mathela, A.B. Melkani, Aileen T. Nerio, Noel S. Sturm
Structure      13C NMR   碳谱模拟图
13 .     N-(2-acetoxy)-octylphthalimide
C18H23NO4     相似度:64.2%
Bioorganic & Medicinal Chemistry          2009          17          29-34
Arthrobacter sp. lipase immobilization for preparation of enantiopure masked β-amino alcohols
Asha Chaubey, Rajinder Parshad, Pankaj Gupta, Subhash C. Taneja, Ghulam N. Qazi, C.R. Rajan, S. Ponrathnam
Structure      13C NMR   碳谱模拟图
14 .     diisobutylphthalate
C16H22O4     相似度:62.5%
Journal of Chinese Medicinal Materials          2012          35          1610-1614
Study on Chemical Composition of Ethylacetate Fraction from Polygonum amplexicaule var. sinense
XIANG Mei-xian, HU Ya-jing, YAN Yun-jun
Structure      13C NMR   碳谱模拟图
15 .     dibutyl phthalate
C16H22O4     相似度:61.5%
Chemistry of Natural Compounds          2009          45          234-236
MONO-AROMATIC CONSTITUENTSOF Dendrobium longicornu
Jiang-Tao Li, Ben-Lin Yin, Ying Liu, Li-Qin Wang, and Ye-Gao Chen
Structure      13C NMR   碳谱模拟图
16 .     compound 5
    相似度:61.5%
Journal of Chinese Pharmaceutical Sciences          1996          5          63-67
Chemical constituents of Tussilago farfara L.
WeiShi and Gui-Qiu Han
Structure      13C NMR   碳谱模拟图
17 .     dibutylphthalate
    相似度:61.5%
Journal of Chinese Pharmaceutical Sciences          2004          13          1-3
Chemical Constituents of Angelica sinensis
LU Xin-hua; ZHANG Jin-juan; LIANG Hong; and ZHAO Yu-ying
Structure      13C NMR   碳谱模拟图
18 .     Dibutylterephthalate
    相似度:61.5%
Journal of Chinese Pharmaceutical Sciences          2006          15          251-254
Chemical Constituents from Roots of Semiaquilegia adoxoides
NIU Feng, XIE Guang-bo, CUI Zheng, CHEN Fa-kui, and TU Peng-fei
Structure      13C NMR   碳谱模拟图
19 .     dibutyl phthalate
C18H26O4     相似度:61.5%
China Journal of Chinese Materia Medica          2005          30          347-350
Chemical constituents from marine alga Chaaetomorpha basiretorsa
SHI Dayong, HAN Lijun, SUN Jie, WANG Ying, YANG Yongchun, SHI Jiangong, FAN Xiao
Structure      13C NMR   碳谱模拟图
20 .     pestalotiopsol A
C11H20O3     相似度:61.5%
Phytochemistry          1997          46          313-319
Metabolites of Pestalotiopsis spp., endophytic fungi of Taxus brevifolia
Maurizio Pulici, Fumio Sugawara, Hiroyuki Koshino, Gen Okada, Yasuaki Esumi, Jun Uzawa, Shigeo Yoshida
Structure      13C NMR   碳谱模拟图
21 .     pestalotiopsol B
C11H18O3     相似度:61.5%
Phytochemistry          1997          46          313-319
Metabolites of Pestalotiopsis spp., endophytic fungi of Taxus brevifolia
Maurizio Pulici, Fumio Sugawara, Hiroyuki Koshino, Gen Okada, Yasuaki Esumi, Jun Uzawa, Shigeo Yoshida
Structure      13C NMR   碳谱模拟图
22 .     dibutylphthalate
C16H22O4     相似度:61.5%
China Journal of Chinese Materia Medica          2011          Vol 36,Issue 8          1028-1031
Study on chemical constituents from leaves of Tripterygium wilfordii
CAO Xu, LI Chuang jun, YANG Jing zhi, WEI Baixing, LUO Yongming, ZHANG Dongming
Structure      13C NMR   碳谱模拟图
23 .     Dibutylphthalate
C16H22O4     相似度:61.5%
Chemistry of Natural Compounds          2011          Vol. 47, No. 2          272-274
CHEMICAL CONSTITUENTS FROM PINE NEEDLES OF Cedrus deodara
Jun Min Zhang, Xiao Feng Shi, Qu Huan Ma,Fu Jiang He, Bin Fan,Dong Dong Wang,and Dong Yan Liu
Structure      13C NMR   碳谱模拟图
24 .     dibutylphthalate
C16H22O4     相似度:61.5%
Chinese Journal of Marine Drugs          2006          25(5)          1-5
Studies on the tumor cytotoxic constituents from the marine sponge Hyrtios erectus
DAI Hao-fu, MEI Wen-li, PROKSCH Peter, LIN Wen-han
Structure      13C NMR   碳谱模拟图
25 .     邻苯二甲酸二丁酯(dibutylphthalate)
    相似度:61.5%
Chinese Journal of Marine Drugs          2004          23(5)          1-5
Structural identification and antitumor activity of secondary metabolites of marine-derived actinomycete 3295
QU Xin-yan, GU Qian-qun, CUI Cheng-bin, FANG Yu-chun, LIU Hong-bing, ZHU Tian-jiao, ZHU Wei-ming
Structure      13C NMR   碳谱模拟图
26 .     邻苯二甲酸二丁酯
    相似度:61.5%
Chinese Journal of Marine Drugs          2000          19(1)          1-4
STUDIES ON THE CHEM ICAL CONSTITUTIONS OF THE SPONGE SUBERITES TYLOBTUSA LEV I
Li Wenlin, Mao Shilong, Yi Yanghua
Structure      13C NMR   碳谱模拟图
27 .     compound 3
    相似度:61.5%
China Journal of Chinese Materia Medica          2010          35          1156-1159
α-Glucosidase inhibitors from leaves of Forsythia suspense in Henan province
KANG Wenyi; WANG Jinmei; ZHANG Li
Structure      13C NMR   碳谱模拟图
28 .     nosyl amide
    相似度:61.5%
Heterocycles          2008          76          747-757
A Simple Chiral Template for the Synthesis of Fuctionalized α-Arylglycine Derivatives
Hiyoku Nakata, Takahiro Imai, Satoshi Yokoshima, and Tohru Fukuyama
Structure      13C NMR   碳谱模拟图
29 .     bis(2-ethylhexyl)phthalate
    相似度:61.5%
Chinese Traditional and Herbal Drugs          2009          40          1015-1018
Chemical constituents in Tridax procumbens
XU Run-sheng; YUAN Ke; YIN Ming-wen; FANG Lei-jie; MAO Nong-nong
Structure      13C NMR   碳谱模拟图
30 .     邻苯二酸二正丁基酯
    相似度:61.5%
Chinese Traditional and Herbal Drugs          2009          40          1366-1369
毛重楼的化学成分研究
黄贤校;高文远;谷克仁;马超一
Structure      13C NMR   碳谱模拟图
4楼2013-07-11 09:50:43
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查看全部 4 个回答

jasminelw

铁杆木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
向文非: 金币+15, ★★★★★最佳答案 2013-07-05 01:10:20
查询结果:共查到2892个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     phthalic acid,butyl isobuty ester
    相似度:100%
China Journal of Chinese Materia Medica          2007          32          1295-1298
Studies on Chemical Constituents of Phlomis medicinalis II
YU Zhenxi, WANG Gangli, DAI Zhong, BLANBA Ciren, LIN Ruichao
Structure      13C NMR   碳谱模拟图

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

2 .     phthalic acid,butyl isobutyl ester
    相似度:100%
Chinese Pharmaceutical Journal          2007          42          1295-1298
Studies on Chemical Constituents of Phlomis medicinalis Ⅱ
YU Zhen-xi, WANG Gang-li, DAI Zhong, BIANBA Ci-ren, LIN Rui-chao
Structure      13C NMR   碳谱模拟图

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

3 .     1,4-benzenedicarboxylic acid 1-butyl-4-(2-methylpropyl) ester
C16H22O4     相似度:100%
Acta Pharmaceutica Sinica          2012          47          1179-1182
A new monoterpenoid glucoside from the twigs of Chamaecyparis obtusa var.breviramea f.crippsii
XU Jian; ZHANG Yu-mei; CHEN Ke-li; TAN Ning-hua; LIU Yi-mei
Structure      13C NMR   碳谱模拟图

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

4 .     邻苯二甲酸丁酯异丁酯
    相似度:92.3%
Journal of Chinese Medicinal Materials          2008          31          1508-1510
Studies on Chemical Constituents from Zephyranthes candida
WU Zhi-ping, CHEN Yu, WANG Ming, DONG Yun-fa, XIA Bing, FENG Xu
Structure      13C NMR   碳谱模拟图

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

5 .     phthalic acid butyl isobutyl ester
    相似度:91.6%
Natural Product Research and Development          2009          21          916-918
Studies on the Secondary Metabolites of Endophytic Fungus Epicoccum sp. Isolated from Azadirachta indica
WANG Li-dong; WU Shao-hua; CHEN You-wei; YU Ying; YANG Li-yuan; LI Shao-lan; LI Zhi-ying
Structure      13C NMR   碳谱模拟图

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

6 .     butyl isobutyl phthalate
C16H22O4     相似度:83.3%
Chinese Traditional and Herbal Drugs          2012          43          653-657
Chemical constituents in twigs and leaves of Melodinus fusiformis
WANG Ding-wei; LUO Xiao-dong; JIANG Bei
Structure      13C NMR   碳谱模拟图

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

7 .     n-butyl shikimate(莽草酸正丁酯)
C11H18O5     相似度:75%
Chemical Journal of Chinese Universities          2010          31          679-683
Isolation and Purification of a New Shikimic Acid Derivative from Schisandra Chinensis and Its Content Assay
ZHU Hong-Yan,MENG Xiang-Ying,BAO Yong-Li,YU Chun-Lei,WU Yin,LI Yu-Xin
Structure      13C NMR   碳谱模拟图

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

8 .     n-butyl phthalate
    相似度:75%
Marine drugs          2009          7          341-354
A Marine Sulfate-Reducing Bacterium Producing Multiple Antibiotics: Biological and Chemical Investigation
Yi Zhang,Jun Mu,Xiaojie Gu,Chenyan Zhao,Xiaoliang Wang and Zeping Xie
Structure      13C NMR   碳谱模拟图

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

9 .     n-butyl shikimate
C11H18O5     相似度:75%
Acta Chimica Sinica          2010          31          679-683
Isolation and Purification of a New Shikimic Acid Derivative from Schisandra Chinensis and Its Content Assay
ZHU Hong-Yan,MENG Xiang-Ying,BAO Yong-Li,YU Chun-Lei,WU Yin,LI Yu-Xin
Structure      13C NMR   碳谱模拟图

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

10 .     compound 3
    相似度:75%
China Journal of Chinese Materia Medica          2010          35          1156-1159
α-Glucosidase inhibitors from leaves of Forsythia suspense in Henan province
KANG Wenyi; WANG Jinmei; ZHANG Li
Structure      13C NMR   碳谱模拟图

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

11 .     (R)-2-methyl-1,4-bis(p-toluenesulphonyloxy)butane
C19H24O6S2     相似度:75%
Heterocycles          2001          55          1505-1518
A New Asymmetric Synthesis of (R)-3-Methylpyrrolidine Alkaloids Starting from (S)-Malic Acid
Xiao Zheng, Pei Qiang Huang,* Yuan Ping Ruan, Albert W. M. Lee, and Wing Hong Chan
Structure      13C NMR   碳谱模拟图

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

12 .     butyl isobutyl phthalate
C16H22O4     相似度:75%
Phytotherapy Research          2010          24          1588-1591
α-glucosidase inhibition and the in vivo hypoglycemic effect of butyl-isobutyl-phthalate derived from the Laminaria japonica rhizoid
Tong Bu, Ming Liu, Lanhong Zheng, Yuewei Guo and Xiukun Lin
Structure      13C NMR   碳谱模拟图

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

13 .     4-acetoxy-1-[bis(4-hydroxyphenyl)methylene]cyclohexane
C21H22O4     相似度:75%
Journal of Medicinal Chemistry          2006          49          2496-2511
Fluorine-Substituted Cyclofenil Derivatives as Estrogen Receptor Ligands:  Synthesis and Structure−Affinity Relationship Study of Potential Positron Emission Tomography Agents for Imaging Estrogen Receptors in Breast Cancer
Jai Woong Seo, John S. Comninos, Dae Yoon Chi, Dong Wook Kim, Kathryn E. Carlson, and John A. Katzenellenbogen
Structure      13C NMR   碳谱模拟图

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

14 .     n-butyl isobutyl terephthalate
    相似度:75%
Natural Product Research and Development          2013          25          1-6
Secondary Metabolites of Marine-derived Fungus Penicillium oxalicum SCSGAF 0023 and Their Antifouling and Enzyme-inhibitory Activities
SUN Yu-lin, CHEN Yin, XU Xin-ya, ZHANG Xiao-yong, ZHENG Zhi-hui, NONG Xu-hua, BAO Jie, QI Shu-hua
Structure      13C NMR   碳谱模拟图

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

15 .     1,2-Benzenedicarboxylic acid,dibuty ester
    相似度:75%
Journal of Shenyang Pharmaceutical University          2011          28          875-878
The chemical constituents from whole plant of Reineckia carnea(Andr.) Kunth
CHEN, Ling-li, HAN, Na, WANG, Yi-chun, HUANG, Ting, XUE, Rui, YIN, Jun
Structure      13C NMR   碳谱模拟图

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

16 .     4-Butoxybenzophenone
    相似度:75%
Bioorganic & Medicinal Chemistry          2013          23          3114-3119
Synthesis and biological evaluation against Leishmania amazonensis of a series of alkyl-substituted benzophenones
Claudia, Mara, Maciel-Rezende, Letícia, de, Almeida, Éderson, D’Martin, Costa, Francieli, Ribeiro, Pires, Karina, Ferreira, Alves, Cláudio, Viegas, Junior, Danielle, Ferreira, Dias, Antônio, Carlos, Doriguetto, Marcos, José, Marques, Marcelo, Henrique, do
Structure      13C NMR   碳谱模拟图

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

17 .     (5R)-1-azabicyclo[3.2.1]octan-3-one•hydrochloride
C7H11NO     相似度:69.2%
Journal of Heterocyclic Chemistry          2008          45          247-257
Preparation of novel azabicyclic amines and 7 nicotinic acetylcholine receptor activity of derived aryl amides
Daniel P. Walker,Brad A. Acker,E. Jon Jacobsen and Donn G. Wishka
Structure      13C NMR   碳谱模拟图

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

18 .     Methyl-4-[3,5-bis(trifluoromethyl)phenyl]-2-isopropyl-3-oxobutyrate
    相似度:69.2%
Archiv der Pharmazie          2008          341          9-19
Synthesis and Antiviral Evaluation of 6-(Trifluoromethylbenzyl) and 6-(Fluorobenzyl) Analogues of HIV Drugs Emivirine and GCA-186
Nasser R. El-Brollosy, Esben R. Sørensen, Erik B. Pedersen, Giuseppina Sanna, Paolo La Colla and Roberta Loddo
Structure      13C NMR   碳谱模拟图

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

19 .     6-tert-butyl-3-bromomethyl-2,4-dimethylphenyl acetate
C15H21BrO2     相似度:69.2%
Russian Journal of Organic Chemistry          2006          42          1653-1661
New chiral ligands from myrtenal and caryophyllene for asymmetric oxydation of sulfides catalyzed by metal complexes
T. M. Khomenko, O. V. Salomatina, S. Yu. Kurbakova, I. V. Il’ina and K. P. Volcho, et al.
Structure      13C NMR   碳谱模拟图

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

20 .     3-(1-hydroxybutyl)-2-methylisoindolin-1-one
C13H17NO2     相似度:69.2%
Tetrahedron          2012          68          8805-8816
Electroreductive intermolecular coupling of phthalimides with aldehydes: application to the synthesis of alkylideneisoindolin-1-ones
Naoki Kise, Shinsaku Isemoto, Toshihiko Sakurai
Structure      13C NMR   碳谱模拟图
2楼2013-07-04 09:39:02
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向文非

至尊木虫 (著名写手)

引用回帖:
2楼: Originally posted by jasminelw at 2013-07-04 09:39:02
查询结果:共查到2892个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     phthalic acid,butyl isobuty ester
    相似度:100%
Chin ...

搜了你给的结构  硬是没搞对  一直觉得有点问题  不知可不可以给重新搜下  万分感谢  14.34,19.71,19.71,20.19,28.83,31.67,66.22,72.45,129.99,132.33,132.38.133.75,168.28
3楼2013-07-11 00:16:17
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