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bravexueli

金虫 (小有名气)

[求助] 求助微谱数据

12.76,17.81,21.57,23.12,24.4,24.5,25.6,25.9,27.3,27.5,27.9,29.7,31.5,33.5,34.3,34.9,35.8,38.5,47,47.6,47.9,48.5,49.3,52.4,85.1,86.4,101.7,118.2,145.6,216.9
打谱溶剂氘代氯仿
13.7,19.2,29.7,30.6,65.5,112.1,119.7,121.1,122,128.8,128.8,129.6,130.9,130.9,132.3,135.9,138.5,167.7
溶剂CDCl3
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木风枫pan

木虫 (小有名气)

【答案】应助回帖

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感谢参与,应助指数 +1
jiangchunyong: 金币+1, 谢谢 2012-12-04 09:58:46
bravexueli: 金币+20, ★★★★★最佳答案 2012-12-06 20:47:21
第一个1 .     21α-methylmelianodiol
C31H50O5     相似度:77.4%
Chemical & Pharmaceutical Bulletin          2008          56(6)          839-842
Terpenoids and Coumarins Isolated from the Fruits of Poncirus trifoliata
Guang-Hua XU,Jeong-Ah KIM,So-Young KIM,b Jae-Chun RYU,Young-Soo KIM,d Sang-Hun JUNG,Mi-Kyeong KIM,and Seung-Ho LEE
Structure      13C NMR   碳谱模拟图

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2 .     compound 7
C31H50O5     相似度:77.4%
Chemical & Pharmaceutical Bulletin          2007          55(10)          1442-1447
Apotirucallane and Tirucallane Triterpenoids from Cedrela sinensis
Kumiko MITSUI, Hiroaki SAITO, Ryota YAMAMURA, Haruhiko FUKAYA, Yukio HITOTSUYANAGI, and Koichi TAKEYA
Structure      13C NMR   碳谱模拟图

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

3 .     21α-methylmelianodiol
    相似度:77.4%
Planta Medica          2008          74          396-400
21-Methylmelianodiols from Poncirus trifoliata as Inhibitors of Interleukin-5 Bioactivity in Pro-B Cells
In Jeong Lee, Guang-Hua Xu, Jung-Hun Ju, Jeong Ah Kim, Soon-Woo Kwon, Seung Ho Lee, Sang-Bae Han,Youngsoo Kim
Structure      13C NMR   碳谱模拟图

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

4 .     3-oxotirucalla-7,24-dien-21-oic acid
    相似度:76.6%
Journal of Natural Products          2000          63          238-242
Inhibitory Effects on HIV-1 Protease of Constituents from the Wood of Xanthoceras sorbifolia
Chao-mei Ma, Norio Nakamura,Masao Hattori, Hiroko Kakuda,Jun-chan Qiao, and Hai-lan Yu
Structure      13C NMR   碳谱模拟图

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

5 .     melianodiol
C30H48O5     相似度:76.6%
Planta Medica          2000          66          740-745
Phytochemical Investigation of Aglaia andamanica
Jindaporn Puripattanavong,Sabine Weber, Volker Brecht,August Wilhelm Frahm
Structure      13C NMR   碳谱模拟图

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

6 .     3-oxo-tirucalla-7,24-dien-21-al
C30H46O2     相似度:76.6%
Phytochemistry          1998          49          2457-2460
Triterpenoids from Owenia cepiodora
Dulcie A. Mulholland, Maria Kotsos, Hamdani A. Mahomed, David A. H. Taylor
Structure      13C NMR   碳谱模拟图

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

7 .     21S,23R-epoxy-21,24S,25-trihydroxy-apotirucalla-7-ene-3-one
    相似度:76.6%
Acta Pharmaceutica Sinica          2009          Vol 44          625−627
Triterpenes from fruits of Paliurus ramosissimus
YU Lei; YANG Jing-zhi; ZHANG Dong-ming
Structure      13C NMR   碳谱模拟图

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

8 .     豆甾醇-β-D-葡萄糖苷
    相似度:76.6%
Chinese Traditional and Herbal Drugs          2002          33          300-303
Studies on chemical constituents in seed of Litchi chinensis
TU Peng fei; LUO Qing; ZHENG Jun hua
Structure      13C NMR   碳谱模拟图

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9 .     meliandiol
    相似度:76.6%
Chinese Traditional and Herbal Drugs          2011          42          244-246
Chemical constituents in fruit of Melia azedarach (II)
CHONG Xiao-tao, SHI Yan-peng, CHENG Zhan-li, YAO Qing-qiang
Structure      13C NMR   碳谱模拟图

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10 .     α-methylmelianodiol
C31H50O5     相似度:74.1%
Chinese Journal of Natural Medicines          2010          8          97-100
Chemical Constituents from the Fruits of Poncirus trifoliata
YU Ping; LIANG Jing-Yu; LIU Xin
Structure      13C NMR   碳谱模拟图

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

11 .     3,23-dioxotirucalla-7,24-dien-21-al
C30H44O3     相似度:73.3%
Phytochemistry          2005          66          2324-2328
Tirucallane triterpenes from the leaf extract of Entandrophragma angolense
Abayomi T. Orisadipe, Akinbobola A. Adesomoju, Michele D Ambrosio,Antonio Guerriero, Joseph I. Okogun
Structure      13C NMR   碳谱模拟图

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

12 .     aglaiodiol
C30H50O5     相似度:73.3%
Planta Medica          2000          66          740-745
Phytochemical Investigation of Aglaia andamanica
Jindaporn Puripattanavong,Sabine Weber, Volker Brecht,August Wilhelm Frahm
Structure      13C NMR   碳谱模拟图

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

13 .     bourjotinolone A
    相似度:73.3%
Chemical & Pharmaceutical Bulletin          1992          40          1053-1055
Cytotoxic Quassinoids and Tirucallane-Type Triterpenes from the Woods of Eurycoma longifolia
Hideji ITOKAWA,Etsuko KISHI,Hiroshi MORITA and Koichi TAKEYA
Structure      13C NMR   碳谱模拟图

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

14 .     bourjotinolone
C30H48O3     相似度:73.3%
Phytochemistry          1998          49          2457-2460
Triterpenoids from Owenia cepiodora
Dulcie A. Mulholland, Maria Kotsos, Hamdani A. Mahomed, David A. H. Taylor
Structure      13C NMR   碳谱模拟图

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

15 .     21,23-epoxy-21α,24,25-trihy-droxytirucalla-7-en-3-one
    相似度:73.3%
Chinese Journal of Natural Medicines          2009          7          31-33
Triterpenes from the Fruits of Phellodendron chinense Schneid var. glabriusculum Schneid
YAN Chen; WANG Ye; HAO Xiao-Jiang
Structure      13C NMR   碳谱模拟图

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

16 .     (21R,23R)-epoxy-21α-ethoxy-24S, 25-dihydroxyapotirucalla-7-en-3-one
C32H52O5     相似度:71.8%
Journal of Natural Products          2009          72          685-689
Terpenoids from Toona ciliata
Hua-Dong Chen, Sheng-Ping Yang, Yan Wu, Lei Dong, and Jian-Min Yue
Structure      13C NMR   碳谱模拟图

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

17 .     21R,23R-epoxy-21α-ethoxy,24S,25-dihydroxy-apotirucalla-7-en-3-one
C32H52O5     相似度:71.8%
Chinese Journal of Natural Medicines          2010          8          97-100
Chemical Constituents from the Fruits of Poncirus trifoliata
YU Ping; LIANG Jing-Yu; LIU Xin
Structure      13C NMR   碳谱模拟图

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

18 .     21β-methylmelianodiol
C31H50O5     相似度:70.9%
Chemical & Pharmaceutical Bulletin          2008          56(6)          839-842
Terpenoids and Coumarins Isolated from the Fruits of Poncirus trifoliata
Guang-Hua XU,Jeong-Ah KIM,So-Young KIM,b Jae-Chun RYU,Young-Soo KIM,d Sang-Hun JUNG,Mi-Kyeong KIM,and Seung-Ho LEE
Structure      13C NMR   碳谱模拟图

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

19 .     compound 8
C31H50O5     相似度:70.9%
Chemical & Pharmaceutical Bulletin          2007          55(10)          1442-1447
Apotirucallane and Tirucallane Triterpenoids from Cedrela sinensis
Kumiko MITSUI, Hiroaki SAITO, Ryota YAMAMURA, Haruhiko FUKAYA, Yukio HITOTSUYANAGI, and Koichi TAKEYA
Structure      13C NMR   碳谱模拟图

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

20 .     21β-methylmelianodiol
    相似度:70.9%
Planta Medica          2008          74          396-400
21-Methylmelianodiols from Poncirus trifoliata as Inhibitors of Interleukin-5 Bioactivity in Pro-B Cells
In Jeong Lee, Guang-Hua Xu, Jung-Hun Ju, Jeong Ah Kim, Soon-Woo Kwon, Seung Ho Lee, Sang-Bae Han,Youngsoo Kim
Structure      13C NMR   碳谱模拟图

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

21 .     21R,23R-epoxy-21-ethoxy-24S,25-dihydroxy-apotirucalla-7-ene-3-one
    相似度:70.9%
Acta Pharmaceutica Sinica          2009          Vol 44          625−627
Triterpenes from fruits of Paliurus ramosissimus
YU Lei; YANG Jing-zhi; ZHANG Dong-ming
Structure      13C NMR   碳谱模拟图

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

22 .     21β-methylmelianodiol
C31H50O5     相似度:70.9%
Chinese Journal of Natural Medicines          2010          8          97-100
Chemical Constituents from the Fruits of Poncirus trifoliata
YU Ping; LIANG Jing-Yu; LIU Xin
Structure      13C NMR   碳谱模拟图

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

23 .     ailexcelone
C30H50O3     相似度:70%
Chemistry & Biodiversity          2006          Vol. 3          930
Two New Tetracyclic Triterpenes from the Heartwood of Ailanthus excelsa Roxb.
Pullela V. Srinivas, R. Ranga Rao, and J. Madhusudana Rao
Structure      13C NMR   碳谱模拟图

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24 .     toosendanone A
C30H48O4     相似度:70%
Journal of Natural Products          2009          72          917-920
Protolimonoids from Melia toosendan
Yi Shu Sang,Chun Yan Zhou, Ai Jun Lu, Xiao Jin Yin,Zhi Da Min,and Ren Xiang Tan
Structure      13C NMR   碳谱模拟图

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25 .     25-chloro-24-hydoroxytirucall-7-en-3-one
C30H49O2Cl     相似度:70%
Phytochemistry          2002          61          93-98
Terpenoids from Tripterygium doianum (Celastraceae)
Naonobu Tanaka, Hongquan Duan, Yoshihisa Takaishi,Kazuyoshi Kawazoe, Satoru Goto
Structure      13C NMR   碳谱模拟图

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

26 .     3,21-dioxotirucalla-7,24-dien-21,23-oxide
    相似度:70%
Journal of Natural Products          2003          66          675-678
Apotirucallane and Tirucallane Triterpenoids from Luvunga sarmentosa
Christine Kamperdick, Trinh Phuong Lien, Guenter Adam, and Tran Van Sung
Structure      13C NMR   碳谱模拟图

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

27 .     dubione A
C30H44O4     相似度:70%
Journal of Natural Products          2002          65          1886-1891
Antineoplastic Agents. 489. Isolation and Structures of Meliastatins 1-5 and Related Euphane Triterpenes from the Tree Melia dubia1
George R. Pettit,Atsushi Numata,Chika Iwamoto, Hideaki Morito, Takeshi Yamada,Animesh Goswami,Paul J. lewlow, Gordon M. Cragg, and Jean M. Schmidt
Structure      13C NMR   碳谱模拟图

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

28 .     (23E)-25-hydroperoxycycloart-23-en-3-one
    相似度:70%
Journal of Natural Products          1996          59          343-347
Cycloartane Derivatives from Tillandsia usneoides
Gabriela M. Cabrera, Mariana Gallo, and Alicia M. Seldes
Structure      13C NMR   碳谱模拟图

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29 .     24-epi-melianodiol
C30H48O5     相似度:70%
Planta Medica          2000          66          740-745
Phytochemical Investigation of Aglaia andamanica
Jindaporn Puripattanavong,Sabine Weber, Volker Brecht,August Wilhelm Frahm
Structure      13C NMR   碳谱模拟图

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

30 .     hispidone
    相似度:70%
Chemical & Pharmaceutical Bulletin          1992          40          1053-1055
Cytotoxic Quassinoids and Tirucallane-Type Triterpenes from the Woods of Eurycoma longifolia
Hideji ITOKAWA,Etsuko KISHI,Hiroshi MORITA and Koichi TAKEYA
Structure      13C NMR   碳谱模拟图

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31 .     mangiferonic acid
    相似度:70%
Phytochemistry          1999          50          1229-1236
Triterpenoids from Mangifera indica
V. Anjaneyulu , P. Satyanarayanα, K.N. Viswanadham, V.G. Jyothi, K. Nageswara Rao, P. Radhika
Structure      13C NMR   碳谱模拟图

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32 .     24S,25-dihydroxytirucall-7-en-3-one
C30H50O3     相似度:70%
Phytochemistry          1998          49          2457-2460
Triterpenoids from Owenia cepiodora
Dulcie A. Mulholland, Maria Kotsos, Hamdani A. Mahomed, David A. H. Taylor
Structure      13C NMR   碳谱模拟图

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

33 .     compound 1
C30H50O4     相似度:70%
Journal of Natural Products          1992          Vol 55          807
Triterpenoids of Jatropha gossypiifolia
Winston F. Tinto, Lisa M. D. John, William F. Reynolds, Stewart McLean
Structure      13C NMR   碳谱模拟图

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34 .     compound 8
    相似度:70%
Phytochemistry          1991          30          1225-1229
Triterpenes from Cedrela odorata
Angela M. Campos, Francisco S. Oliveira, Maria Iracema L. Machado, Francisco J.A. Matos, Raimundo Braz-Filho
Structure      13C NMR   碳谱模拟图

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35 .     24,25-epoxy-tirucall-7,20(E)-diene-3,23-dione
C29H42O3     相似度:70%
Chemical & Pharmaceutical Bulletin          2011          59(2)          282-286
Novel Nortriterpenoids from Aphanamixis grandifolia
Yao ZHANG, Jun-Song WANG, Jun LUO, and Ling-Yi KONG
Structure      13C NMR   碳谱模拟图

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36 .     salvilymitone
C30H50O4     相似度:70%
Phytochemistry          1990          29          919-922
Dammarane triterpenes of Salvia hierosolymitana
Samuel Pedreros,Benjamin Rodríguez,María C. De La Torre,Maurizio Bruno,Giuseppe Savona,Aurea Perales,Maria R. Torres
Structure      13C NMR   碳谱模拟图

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37 .     nimbocinone
C30H46O4     相似度:70%
Phytochemistry          1986          25          2183-2185
Isolation of a triterpenoid from Azadirachta indica
Salimuzzaman Siddiqui, Tariq Mahmood, Bina Shaheen Siddiqui, Shaheen Faizi
Structure      13C NMR   碳谱模拟图

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38 .     boujotinolone A
    相似度:70%
Chinese Journal of Natural Medicines          2009          7          31-33
Triterpenes from the Fruits of Phellodendron chinense Schneid var. glabriusculum Schneid
YAN Chen; WANG Ye; HAO Xiao-Jiang
Structure      13C NMR   碳谱模拟图

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39 .     toonapubesin D
C30H50O5     相似度:70%
Organic & Biomolecular Chemistry          2011          9          7685-7696
Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens
Jian-Rong Wang, Hai-Li Liu, Tibor Kurtán, Attila Mándi, Sándor Antus, Jia Li, Hai-Yan Zhang and Yue-Wei Guo
Structure      13C NMR   碳谱模拟图

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40 .     3-oxotrirucalla-7,24-dien-21-oic acid
    相似度:70%
Chinese Journal of Natural Medicines          2012          10          36-39
Chemical constituents of Allophylus longipes
Xiang-Yun ZHANG, Xiang-Hai CAI, Xiao-Dong LUO
Structure      13C NMR   碳谱模拟图

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41 .     24,25,26-trihydroxytirucall-7-en-3-one
C60H100O8     相似度:70%
Phytochemistry Letters          2012          5          432-437
Three new triterpenoids from Salacia hainanensis Chun et How showed effective anti-α-glucosidase activity
Jian Huang, Zheng-hong Guo, Peng Cheng, Bo-hang Sun, Hui-Yuan Gao
Structure      13C NMR   碳谱模拟图  
第二个1 .     Asiaticin
C19H20O4     相似度:66.6%
Journal of Asian Natural Products Research          2007          9          407-414
Chemical constituents of Centella asiatica
B. S. SIDDIQUI, H. ASLAM, S. T. ALI, S. KHAN and S. BEGUM
Structure      13C NMR   碳谱模拟图

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2 .     (E)-3-(1,3-Bis(4-bromophenyl)allyl)pentane-2,4-dione
C20H18Br2O2     相似度:66.6%
Tetrahedron          2012          68          3776-3785
Allylic activation across an Ir–Sn heterobimetallic catalyst: nucleophilic substitution and disproportionation of allylic alcohol Original Research Article
Paresh Nath Chatterjee, Sujit Roy
Structure      13C NMR   碳谱模拟图

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3 .     butyl 4-chloro-2-(2-chlorobenzamido)benzoate
C18H17Cl2NO3     相似度:66.6%
Bioorganic & Medicinal Chemistry          2008          16          5803-5814
Synthesis and anti-platelet evaluation of 2-benzoylaminobenzoate analogs
Pei-Wen Hsieh, Shin-Zan Chiang, Chin-Chung Wu, Yi-Ching Lo, Yu-Tzu Shih, Yang-Chang Wu
Structure      13C NMR   碳谱模拟图

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4 .     N-butyl-4-chloro-2-(2-chlorobenzamido)benzamide
C18H18Cl2N2O2     相似度:66.6%
Bioorganic & Medicinal Chemistry          2008          16          5803-5814
Synthesis and anti-platelet evaluation of 2-benzoylaminobenzoate analogs
Pei-Wen Hsieh, Shin-Zan Chiang, Chin-Chung Wu, Yi-Ching Lo, Yu-Tzu Shih, Yang-Chang Wu
Structure      13C NMR   碳谱模拟图

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5 .     N-(4-acetylnaphthalen-1-yl)benzamide
    相似度:66.6%
Russian Journal of Organic Chemistry          2009          45          613-616
Unusual photorearrangement of 1,7-disubstituted 7-azabenzonorbornadiene
A. Altundaş, E. Tepe, N. Akbulut and Y. Kara
Structure      13C NMR   碳谱模拟图

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6 .     spatozoate
    相似度:66.6%
The Journal of Antibiotics          2011          64          205-209
Glucopiericidin C: a cytotoxic piericidin glucoside antibiotic produced by a marine Streptomyces isolate
Khaled A Shaaban, Elisabeth Helmke, Gerhard Kelter, Heinz Herbert Fiebig and Hartmut Laatsch
Structure      13C NMR   碳谱模拟图

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7 .     spatozoate
C19H20O4     相似度:63.1%
Phytochemistry          1999          52          495-499
Spatozoate and varninasterol from the brown alga Spatoglossum variabile
Atta-ur-Rahman, M. Iqbal Choudhary, Safdar Hayat, A. Majeed Khan, Aftab Ahmad, Shahid Malik
Structure      13C NMR   碳谱模拟图

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8 .     dibenzo[b,g]-1,6,12-dioxazacyclotetradec-3-en-7,13-dione
C19H17NO4     相似度:63.1%
Heterocycles          2010          81          149-161
A Synthetic Study of Dibenzo-Aromatic Macrolactams
David P. Brown and Thomas Wong
Structure      13C NMR   碳谱模拟图

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9 .     E-2,3-diphenylpropenoate
C19H20O2     相似度:61.1%
Molecules          2004          9          256-263
Preparation of New 2, 3-Diphenylpropenoic Acid Esters – Good Yields Even for the More Hindered Z Isomers
László Boros, Károly Felföldi and István Pálinkó
Structure      13C NMR   碳谱模拟图

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10 .     Fluorenone-O-(1,5-dihydro-2-methoxy-5,5-dimethyl-1,3,4-oxadiazol-2-yl)oxime
C18H17N3O3     相似度:61.1%
Canadian Journal of Chemistry          2005          83          443-448
Synthesis and spectra of aldehyde-and ketone-O-(2,5-dihydro-2-methoxy-5,5-dimethyl-1,3,4-oxadiazol-2-yl)oximes-Thermal sources of some methoxy(oximino)carbenes
Arkadiusz Klys, Malgorzata Dawid, and John Warkentin
Structure      13C NMR   碳谱模拟图

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11 .     1-Benzhydryl-3-hexyl imidazol-3-ium bromide
C22H26N2     相似度:61.1%
Bioorganic & Medicinal Chemistry          2011          19          4868-4875
LuxR dependent quorum sensing inhibition by N, N'-disubstituted imidazolium salts
Mohamad Sabbah, Laurent Soulère, Sylvie Reverchon, Yves Queneau, Alain Doutheau
Structure      13C NMR   碳谱模拟图

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12 .     (S)-Valic Acid 2-Naphthacyl Ester
C17H18O4     相似度:61.1%
Journal of Natural Products          2012          75          425−431
Symplocin A, a Linear Peptide from the Bahamian Cyanobacterium Symploca sp. Configurational Analysis of N,N-Dimethylamino Acids by Chiral-Phase HPLC of Naphthacyl Esters
Tadeusz F. Molinski,Kirk A. Reynolds,and Brandon I. Morinaka
Structure      13C NMR   碳谱模拟图

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13 .     danshenspiroketallactone
    相似度:61.1%
Phytochemistry          1988          27          290-292
Epi-danshenspiroketallactone from Salvia miltiorrhiza
Wei Luo Hou,Chen Shaoxing,Junning Lee,John K. Snyder
Structure      13C NMR   碳谱模拟图

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14 .     epi-danshenspiroketallactone
    相似度:61.1%
Phytochemistry          1988          27          290-292
Epi-danshenspiroketallactone from Salvia miltiorrhiza
Wei Luo Hou,Chen Shaoxing,Junning Lee,John K. Snyder
Structure      13C NMR   碳谱模拟图

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15 .     4,10b-dihydro-11H-12-ethylidene-11-methyl-thieno[2',3':5,6]-azepino[2,1-a]isoindol-6-one
    相似度:61.1%
Journal of Heterocyclic Chemistry          2001          38          35-39
Thieno[2',3':5,6]azepino[2,1-a]isoindolones from hydroxylactam-alcohols via N-acyliminium ion olefin cyclization
Pascal Pigeon, Mohamed Othman and Bernard Decroix
Structure      13C NMR   碳谱模拟图

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16 .     compound 2d'
C17H15ClO4     相似度:61.1%
Indian Journal of Chemistry          2009          48B          1137-1143
An efficient synthesis of phthalic acid derivatives via three component coupling reaction of ethyl β-arylcrotonate,DMF.DMA and DMAD
Prakash,Chandran; Babu,Radhakrishnan Suresh; Mohanakrishnan,Arasambattu K; Arulmani,Manavalan; Kalaichelvan,P Thangavelu
Structure      13C NMR   碳谱模拟图

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17 .     bis-(phenyl-4-thiophene)pyrimidines: 2-undecyl-4,6-bis-(phenyl-4-thiophene)pyrimidine
C35H38N2S2     相似度:61.1%
Heterocycles          2006          68          137-149
Convenient Synthesis and Physicochemical Profile of New Derivatives of Pyrimidine
Joanna Cabaj, Jacek Doskocz, Jadwiga Soloducho,* and Antoni Chyla
Structure      13C NMR   碳谱模拟图

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18 .     5-(Methylsulfonyl)-1-(4-propylphenyl)-1H-indole
C18H19NO2S     相似度:61.1%
Magnetic Resonance in Chemistry          2007          45          185-188
1H and 13C NMR studies of 2-functionalized 5-(methylsulfonyl)-1-phenyl-1H-indoles (pages 185–188)
Olga Cruz-López, Miguel A. Gallo, Antonio Espinosa and Joaquín M. Campos
Structure      13C NMR   碳谱模拟图

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19 .     (E)-3-(1-methyl-2-phenyl-1H-indol-3-yl)-acrylic acid methyl ester
    相似度:61.1%
Tetrahedron Letters          2005          46          3875-3878
A practical synthesis of 3-indolyl α,β-unsaturated carbonyl compounds
Weiqi Wang, Tetsuya Ikemoto
Structure      13C NMR   碳谱模拟图

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20 .     2-hydroxy-3'-carboethoxy-(1,1'-biphen-yl)-6-carboxylic acid,ethyl ester
C18H18O5     相似度:61.1%
Bioorganic & Medicinal Chemistry          2000          8          1087-1109
Biaryl diacid inhibitors of human s-PLA2 with anti-inflammatory activity
Dane M. Springer, Bing-Yu Luh, Joanne J. Bronson, Katharine E. McElhone, Muzammil M. Mansuri, Kurt R. Gregor, David O. Nettleton, Paul L. Stanley, Kenneth M. Tramposch
Structure      13C NMR   碳谱模拟图

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21 .     danshenspiroketallactone
    相似度:61.1%
Chemistry Letters          1990          19          1885-1888
Cryptoacetalide and Epicryptoacetalide, Novel Spirolactone Diterpenoids from Salvia miltiorrhiza
Fumika Asari, Takenori Kusumi, Guo-Zhi Zheng, Ying-Zhou Cen and Hiroshi Kakisawa
Structure      13C NMR   碳谱模拟图

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22 .     epidanshenspiroketallactone
    相似度:61.1%
Chemistry Letters          1990          19          1885-1888
Cryptoacetalide and Epicryptoacetalide, Novel Spirolactone Diterpenoids from Salvia miltiorrhiza
Fumika Asari, Takenori Kusumi, Guo-Zhi Zheng, Ying-Zhou Cen and Hiroshi Kakisawa
Structure      13C NMR   碳谱模拟图

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23 .     4-Bromo-N-((5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4yl)methylene)aniline
C23H14BrClF3N3     相似度:61.1%
Bioorganic & Medicinal Chemistry          2012          20          3306-3316
Synthesis, biological evaluation and molecular modeling study of pyrazole and pyrazoline derivatives as selective COX-2 inhibitors and anti-inflammatory agents. Part 2 Original Research Article
Magda A.-A. El-Sayed, Naglaa I. Abdel-Aziz, Alaa A.-M. Abdel-Aziz, Adel S. El-Azab, Kamal E.H. ElTahir
Structure      13C NMR   碳谱模拟图

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24 .     3,5-bi(Trifluoromethyl)-N-((5-(4-chlorophenyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methylene)aniline
C25H13ClF9N3     相似度:61.1%
Bioorganic & Medicinal Chemistry          2012          20          3306-3316
Synthesis, biological evaluation and molecular modeling study of pyrazole and pyrazoline derivatives as selective COX-2 inhibitors and anti-inflammatory agents. Part 2 Original Research Article
Magda A.-A. El-Sayed, Naglaa I. Abdel-Aziz, Alaa A.-M. Abdel-Aziz, Adel S. El-Azab, Kamal E.H. ElTahir
Structure      13C NMR   碳谱模拟图

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25 .     compound 18
C15H9BrClN3O     相似度:61.1%
European Journal of Organic Chemistry          2012                   2013-2022
Facile Construction of [6,6]-, [6,7]-, [6,8]-, and [6,9]Ring-Fused Triazole Frameworks by Copper-Catalyzed, Tandem, One-Pot, Click and Intramolecular Arylation Reactions: Elaboration to Fused Pentacyclic Derivatives
M. Nagarjuna Reddy and K. C. Kumara Swamy
Structure      13C NMR   碳谱模拟图

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26 .     compound 44
C16H11N3O     相似度:61.1%
European Journal of Organic Chemistry          2012                   2013-2022
Facile Construction of [6,6]-, [6,7]-, [6,8]-, and [6,9]Ring-Fused Triazole Frameworks by Copper-Catalyzed, Tandem, One-Pot, Click and Intramolecular Arylation Reactions: Elaboration to Fused Pentacyclic Derivatives
M. Nagarjuna Reddy and K. C. Kumara Swamy
Structure      13C NMR   碳谱模拟图

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27 .     2-phenyl-4-(2-methylbenzo[d]thiazol-5-yl)benzonitrile
C21H14N2S     相似度:61.1%
Bioorganic & Medicinal Chemistry          2010          18          3026-3035
Structure–activity relationships in a novel series of 7-substituted-aryl quinolines and 5-substituted-aryl benzothiazoles at the metabotropic glutamate receptor subtype 5
Peng Zhang, Mu-Fa Zou, Alice L. Rodriguez, P. Jeffrey Conn, Amy Hauck Newman
Structure      13C NMR   碳谱模拟图

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28 .     (Z)-3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl 2-(4-chlorophenyl)acetate
C21H21Cl2NO3     相似度:61.1%
Molecules          2011          16          8775-8787
Divergent Synthesis of Novel Five-Membered Heterocyclic Compounds by Base-Mediated Rearrangement of Acrylamides Derived from a Novel Isocyanide-Based Multicomponent Reaction
Andrea Basso, Luca Banfi and Renata Riva
Structure      13C NMR   碳谱模拟图

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29 .     butyl 4-chloro-2-(2-bromobenzamido)benzoate
C18H17BrClNO3     相似度:61.1%
Bioorganic & Medicinal Chemistry          2008          16          5803-5814
Synthesis and anti-platelet evaluation of 2-benzoylaminobenzoate analogs
Pei-Wen Hsieh, Shin-Zan Chiang, Chin-Chung Wu, Yi-Ching Lo, Yu-Tzu Shih, Yang-Chang Wu
Structure      13C NMR   碳谱模拟图

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30 .     himanimide C
C22H21O4N     相似度:61.1%
Zeitschrift für Naturforschung C          2002          57          257-262
The Himanimides, New Bioactive Compounds from Serpula himantoides (Fr.) Karst.
P. Aqueveque, T. Anke, and O. Sterner
Structure      13C NMR   碳谱模拟图

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31 .     diethyl 2-[(1S,2E)-1,3-bis(4-bromophenyl)-2-propen-1-yl]malonate
C22H22Br2O4     相似度:61.1%
Tetrahedron          2012          68          3641-3648
Synthesis of novel tricyclic and tetracyclic sultone scaffolds via intramolecular 1,3-dipolar cycloaddition reactions
Mehdi Ghandi, Abuzar Taheri, Abolfazl Hasani Bozcheloei, Alireza Abbasi, Reza Kia
Structure      13C NMR   碳谱模拟图

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32 .     2-bromo-N-[2-(butylselanyl)-3-nitrobenzyl]-4-methylaniline
C18H21N2O2SeBr     相似度:61.1%
European Journal of Organic Chemistry          2011                   5485-5497
Synthesis and Glutathione Peroxidase-Like Activities of Isoselenazolines
Vijay P. Singh, Harkesh B. Singh and Ray J. Butcher
Structure      13C NMR   碳谱模拟图

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33 .     3-(1H-indol-1-yl)-1-methylquinolin-2(1H)-one
    相似度:61.1%
European Journal of Organic Chemistry          2011                   5077-5088
Palladium-Catalyzed Coupling of 3-Halo-Substituted Coumarins, Chromenes, and Quinolones with Various Nitrogen-Containing Nucleophiles
Mohamed Ali Soussi, Davide Audisio, Samir Messaoudi, Olivier Provot, Jean-Daniel Brion and Mouâd Alami
Structure      13C NMR   碳谱模拟图

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34 .     3-(5-methoxy-1H-indol-1-yl)-1-methylquinolin-2(1H)-one
    相似度:61.1%
European Journal of Organic Chemistry          2011                   5077-5088
Palladium-Catalyzed Coupling of 3-Halo-Substituted Coumarins, Chromenes, and Quinolones with Various Nitrogen-Containing Nucleophiles
Mohamed Ali Soussi, Davide Audisio, Samir Messaoudi, Olivier Provot, Jean-Daniel Brion and Mouâd Alami
Structure      13C NMR   碳谱模拟图

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35 .     compound IV-7d
C17H17N3O2     相似度:61.1%
Journal of Agricultural and Food Chemistry          2010          58          3651-3660
Synthesis and Fungicidal Activity of Novel Aminophenazine-1-carboxylate Derivatives
Ming-Zhong Wang, Han Xu, Shu-Jing Yu, Qi Feng, Su-Hua Wang and Zheng-Ming Li
Structure      13C NMR   碳谱模拟图

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36 .     2-Phenyl-3-(o-tolyl)-2H-indazole
C20H16N2     相似度:61.1%
Tetrahedron          2012          68          7605-7612
Pd- and Cu-catalyzed C–H arylation of indazoles
Keika Hattori, Kazuya Yamaguchi, Junichiro Yamaguchi, Kenichiro Itami
Structure      13C NMR   碳谱模拟图

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37 .     N-butyloxycarbonyl-3-(4-oxazol-2-yl-methylphenyl)-5-iso-butylthiophene-2-sulfonamide
C23H28N2O5S2     相似度:60%
Bioorganic & Medicinal Chemistry          2010          18          4570-4590
Selective angiotensin II AT2 receptor agonists with reduced CYP 450 inhibition
A.K. Mahalingam, Yiqian Wan, A.M.S. Murugaiah, Charlotta Wallinder, Xiongyu Wu, Bianca Plouffe, Milad Botros, Fred Nyberg, Anders Hallberg, Nicole Gallo-Payet, Mathias Alterman
Structure      13C NMR   碳谱模拟图

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38 .     diethyl 2-acetamido-2-((3'-cyanobiphenyl-3-yl)methyl)-malonate
    相似度:60%
Bioorganic & Medicinal Chemistry          2009          17          6390-6401
3-Substituted phenylalanines as selective AMPA- and kainate receptor ligands
Ewa Szymańska, Darryl S. Pickering, Birgitte Nielsen, Tommy N. Johansen
Structure      13C NMR   碳谱模拟图
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