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bravexueli

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[求助] 求助微谱数据

化合物1
打谱溶剂CDCl3
12.76,17.74,17.81,21.57,23.12,24.4,24.5,25.6,25.9,27,27.3,27.5,27.9,29.7,31.5,33.5,34.3,34.9,35.8,38.5,47,47.6,47.9,48.4,48.5,49.3,52.4,85.1,86.4,101.7,103.5,118,118.2,190
化合物2
打谱溶剂CDCl3
13.7,19.2,29.7,30.6,65.5,112.1,119.7,121.1,122,128.8,129.6,130.9,131.4,132.3,135.9,138.5,167.7,189
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bravexueli: 金币+20, ★★★★★最佳答案 2012-12-02 16:23:03
xiaoxiao270: 金币+4 2012-12-02 18:00:39
化合物1
1 .     (23 S)-23-ethyl-24-methyl-cycloart-24(24')-en-3β-yl acetate
C35H58O2     相似度:65.7%
Phytochemistry          1995          40          1769-1772
Phytosterols from Murraya exotica
E. K. Desoky
Structure      13C NMR   碳谱模拟图
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2 .     21α-methylmelianodiol
C31H50O5     相似度:64.7%
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
--------------------------------------------------------------------------------

3 .     compound 7
C31H50O5     相似度:64.7%
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
--------------------------------------------------------------------------------

4 .     25-hydroxy-24-methoxycycloartan-3-one
C31H52O3     相似度:64.7%
Journal of Natural Products          2006          69          604-607
Biotransformation of Cycloartane-Type Triterpenes by the Fungus Glomerella fusarioides
Toshihiro Akihisa, Kenji Watanabe, Risa Yoneima, Takashi Suzuki, and Yumiko Kimura
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     3-oxotirucalla-7,24-dien-21-oic acid
    相似度:64.7%
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
--------------------------------------------------------------------------------

6 .     21α-methylmelianodiol
    相似度:64.7%
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
--------------------------------------------------------------------------------

7 .     betulafolienetriol oxide
    相似度:64.7%
Chemistry of Natural Compounds          1985          21          613-616
GLYCOSYLATION OF 20(S),24(R)-EP0XYDAMMARANE-3α,12β, 25-TRIOL IN THE PRESENCE OF INSOLUBLE SILVER COMPOUNDS
N. S. Samoshina, V. A. Denisenko, and N. I. Uvarova
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     20(S),24(R)-epoxydammarane-3α,12β,25-triol
    相似度:64.7%
Chemistry of Natural Compounds          1982          18          546-571
CATALYTIC REARRANGEMENT OF 1,2 ORTHOACETATES OF α-D-GLUCOSE AND 20(S),24(R)-EPOXYDAMMARANE-3,123,25-TRIOLS. I.
N. F. Samoshina, L. N. Atopkina, V. L. Novikov, V. A. Denisenko, and N. I. Uvarova
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     Cyclobalanone
C32H52O     相似度:64.7%
Biochemical Systematics and Ecology          2005          33          211-214
C-32 triterpenes from Taxodium ascendens
Si Ying, Yao Xi-hua, Zhang Can-Kui, Tu Zhi-Ben
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     3β-O-acetyl-mangiferolic acid
C32H50O4     相似度:64.7%
Acta Pharmaceutica Sinica          1997          32          704-707
TRITERPENE ACIDS FROM THE BARKS OF ILLICIUM DIFENG
PI P Huang; M Nishi ; XZ Zheng; MX Lai and T Naknishi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     3-oxo-tirucalla-7,24-dien-21-al
C30H46O2     相似度:64.7%
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
--------------------------------------------------------------------------------

12 .     compound 8b
    相似度:64.7%
Phytochemistry          1994          35          1017-1022
Cycloartane triterpene from Juncus effusus
Marina Della Greca, Antonio Molinaro, Pietro Monaco and Lucio Previtera
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     deacetoxypapyriferic acid
C35H54O7     相似度:64.7%
Phytochemistry          1992          31          2321-2324
Triterpene constituents of the dwarf birch, Betula glandulosa
A.R.E. Sinclair, David E. Williams, Raymond J. Andersen
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     cycloartanyl acetate
    相似度:64.7%
Phytochemistry          1985          24          2359-2367
Triterpenoids from Mangifera indica
V. Anjaneyulu, K. Harischandra Prasad, K. Ravi, J.D. Connolly
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     豆甾醇-β-D-葡萄糖苷
    相似度:64.7%
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
--------------------------------------------------------------------------------

16 .     meliandiol
    相似度:64.7%
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
--------------------------------------------------------------------------------

17 .     cyclopodmenyl acetate
C35H58O2     相似度:62.8%
Chemical & Pharmaceutical Bulletin          1989          37          560-562
FERN CONSTITUENTS : CYCLOPODMENYL ACETATE, A CYCLOARTANOID HAVING A NEW 33-CARBON SKELETON, ISOLATED FROM POLYPODIUM VULGARE
Yoko ARAI,Kenji SHIOJIMA and Hiroyuki AGETA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

18 .     cyclopodomenyl acetate
C35H58O2     相似度:62.8%
Phytochemistry          1991          30          3369-3377
Fern constituents: Triterpenoids isolated from Polypodium vulgare, P. fauriei and P. virginianum
YŌko Arai, Motoko Yamaide, Sachiko Yamazaki, Hiroyuki Ageta
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     compound 11a
C35H58O5     相似度:62.8%
Journal of Agricultural and Food Chemistry          2001          49          3187-3197
Constituents of Compositae Plants. 2. Triterpene Diols, Triols, and Their 3-O-Fatty Acid Esters from Edible Chrysanthemum Flower Extract and Their Anti-inflammatory Effects
Motohiko Ukiya, Toshihiro Akihisa, Ken Yasukawa, Yoshimasa Kasahara, Yumiko Kimura, Kazuo Koike, Tamotsu Nikaido, and Michio Takido
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     (3β,24ξ)-3-methoxy-24-methyl-9,19-cyclolanostan- 25-ol
C32H56O2     相似度:61.7%
Helvetica Chimica Acta          2003          Vol. 86          2645
A Diterpenoid with a New Skeleton and Cytotoxic Terpenoids Isolated from Amentotaxus formosana
Huey-Jen Su, Li-Wen Wang, Chun-Nan Lin, Shiow-Hwa Day, Bai-Luh Wei, Sheng-Zehn Yang, Shen-Jeu Won

化合物2
1 .     ethyl 2-(2,4-dichlorobenzoyl)indolizine-7-carboxylate
C18H13Cl2NO3     相似度:66.6%
Heterocycles          2009          78          725-736
A Facile Approach to Indolizines via Tandem Reaction
Yan-Qing Ge, Jiong Jia, He Yang, Gui-Long Zhao, Fu-Xu Zhan, and Jianwu Wang
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

2 .     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
--------------------------------------------------------------------------------

3 .     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
--------------------------------------------------------------------------------

4 .     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
--------------------------------------------------------------------------------

5 .     Asiaticin
C19H20O4     相似度:61.1%
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
--------------------------------------------------------------------------------

6 .     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
--------------------------------------------------------------------------------

7 .     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
--------------------------------------------------------------------------------

8 .     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
--------------------------------------------------------------------------------

9 .     (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
--------------------------------------------------------------------------------

10 .     (E)-3-(1,3-Bis(4-bromophenyl)allyl)pentane-2,4-dione
C20H18Br2O2     相似度:61.1%
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
--------------------------------------------------------------------------------

11 .     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
--------------------------------------------------------------------------------

12 .     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
--------------------------------------------------------------------------------

13 .     butyl 4-chloro-2-(2,6-dichlorobenzamido)benzoate
C18H16Cl3NO3     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
--------------------------------------------------------------------------------

14 .     N-(4-acetylnaphthalen-1-yl)benzamide
    相似度:61.1%
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
--------------------------------------------------------------------------------

15 .     spatozoate
    相似度:61.1%
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
--------------------------------------------------------------------------------

16 .     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
--------------------------------------------------------------------------------

17 .     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
--------------------------------------------------------------------------------

18 .     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
--------------------------------------------------------------------------------

19 .     (6aR*,7R*,13cS*)-2-Bromo-6a,7,9,13c-tetrahydro-7,9-dimethyl-6H-[1]benzopyrano[4',3': 4,5]thiopyrano[2,3-b]indol-6-one
C20H16BrNO2S     相似度:60%
Helvetica Chimica Acta          2010          93          964-973
Synthesis of Novel Polycyclic Indole-Annulated Thiopyranocoumarin Derivatives via Domino Knoevenagel–Hetero-Diels–Alder Reaction in Aqueous Media
Firouz Matloubi Moghaddam, Mostafa Kiamehr, Salman Taheri and Zohreh Mirjafary
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     spatozoate
C19H20O4     相似度:57.8%
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
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