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小木虫论坛-学术科研互动平台 » 生物医药区 » 药学 » 天然药物化学 » 求助碳谱解析
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植化shmily

银虫 (小有名气)

[求助] 求助碳谱解析已有1人参与

化合物1
溶剂：氘代吡啶
碳谱：12.17,19.02,19.21,19.44,20.00,21.29,23.39,24.52,26.35,28.56,29.45,30.27,32.05,32.19,34.20,36.41,36.93,37.49,39.35,39.95,42.48,46.03,50.34,56.24,56.83,62.83,71.68,75.37,78.07,78.55,78.64,102.59,121.95,123.31,123.51,123.71,123.80,135.33,135.53,135.72,135.82,140.90,149.67,149.89,150.10,150.22
化合物2
溶剂：cdc13
碳谱：12.60,16.99,25.40,76.74,76.99,77.24,110.62,116.72,124.56,132.16,188.01
化合物3
溶剂：cdc13
碳谱：21.05,21.19,23.02,24.28,24.34,25.40,25.99,28.23,28.91,29.09,31.63,31.86,31.88,33.67,33.90,36.12,36.48,37.22,38.79,39.64,39.73,40.50,42.27,42.29,45.78,50.08,51.21,55.90,56.00,56.73,71.79,76.74,76.99,77.25,121,71,129.22,138.31,140.72
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1楼2015-03-12 14:09:40
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gai1988

新虫 (小有名气)

【答案】应助回帖

化合物3
1 .     β-sitosterol and stigmasterol
    相似度:74.3%
The Chinese Pharmaceutical Journal          2000          52          261-273
Studies on Anti-inflammatory Constituents of Leucas Mollissima WALL. var. Chinensis Benth
古貞庭(Chen-Ting Ku), �?勝智(Sheng-Chih Chen), 王繼平(Jih-Pyang Wang), 吳金濱(Jin-Bin Wu), 郭勝助(Sheng-Chu Kuo)
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     Stigmasterol-3-O-glucopyranoside
    相似度:74.3%
Journal of Anhui Agricultural Sciences          2010          38          2324-2355
Study on Chemical Constituents from Waste Tobacco Leaves
SUN Hao-ran et al
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     stigmasteryl-3β-arachidate
C49H86O2     相似度:72.0%
Asian Journal of Chemistry          2014          26          3018-3020
Stigmasteryl Arachidate Constituent from the Straw of Oryza sativa
ILL-MIN CHUNG, JAE-YEON YOON, SEUNG-HYUN KIM and ATEEQUE AHMAD
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     stigmasteryl-3-O-β-D-glucopyranoside and β-sitosteryl-3-O-β-D-glucopyranoside
    相似度:71.7%
Molecules          2009          14          850-867
Bioactive Metabolites from Spilanthes acmella Murr.
Supaluk Prachayasittikul, Saowapa Suphapong, Apilak Worachartcheewan, Ratana Lawung, Somsak Ruchirawat and Virapong Prachayasittikul
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     stigmasterol-3-O-β-glucopyranoside
C35H58O6     相似度:71.7%
Chinese Traditional and Herbal Drugs          2012          43          1071-1074
Chemical constituents from twigs and leaves of Fordia cauliflora
LIU Jin-lei; PAN Zheng-hong; SU Tao; YAN Xiao-jie; LI Dian-peng
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 2-(1-(((tert-butoxycarbonyl)amino)methyl)cyclohexyl)acetate
C41H69NO4     相似度:70.7%
Bioorganic & Medicinal Chemistry          2014          22          1479-1486
Gabapentin hybrid peptides and bioconjugates
Iryna O. Lebedyeva, David A. Ostrov, John Neubert, Peter J. Steel, Kunal Patel, Sean M. Sileno, Kevin Goncalves, Mohamed A. Ibrahim, Khalid A. Alamry, Alan R. Katritzky
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     aglycone-II
    相似度:69.7%
Yakugaku Zasshi          1983          103          43-48
The Principles of Tetragonia tetragonoides Having an Antiulcerogenic Activity. I. Isolation and Identification of Sterylglucoside Mixture (Compound A)
EMI OKUYAMA, MIKIO YAMAZAKI
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     mixture 4a+4b
C25H40O4     相似度:69.2%
Steroids          2007          72          466-473
Studies on the regioselectivity of the Baeyer-Villiger reaction of 3-keto steroids: Conformational effects determine the migration aptitude
Daniel G. Rivera, Orlando Pando, Reynier Suardiaz, Francisco Coll
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     stigmasterol-3-O-β-D-glucoside
    相似度:69.2%
Chinese Traditional and Herbal Drugs          2009          40          1024-1026
Chemical constituents in Dioscorea septemloba
JIANG Zhe; LI Xue-zheng; LI Ning; JIN Guang-zhu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
10 .     daucosterol
    相似度:69.2%
Natural Product Research and Development          2009          21          784-786
Study on the Chemical Constituents of Fruits of Cannabis Sativa L.
SHEN Qian;CAI Guang-ming; HE Gui-xia; DU Fang-lu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
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4楼2015-03-12 19:44:10
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gai1988

新虫 (小有名气)

【答案】应助回帖

感谢参与，应助指数 +1
化合物1
1 .     β-sitosteryl-3'-glucopyranoside-6'-O-palmitate
    相似度:73.9%
Chinese Herbal Medicines          2014          6          65-69
Chemical Constituents from Barks of Lannea coromandelica
Xiao-juan Yun, Huo-ming Shu, Guang-ying Chen, Ming-hui Ji, Jin-yue Ding
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     Pariposide F
C47H80O16     相似度:72.3%
Planta Medica          2012          78          1667-1675
New Steroidal Saponins and Sterol Glycosides from Paris polyphylla var. yunnanensis
Wu, Xia; Wang, Lei; Wang, Guo-Cai; Wang, Hui; Dai, Yi; Ye, Wen-Cai; Li, Yao-Lan:
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     glucoraphenin
    相似度:71.7%
Natural Product Research and Development          2010          22          58-59
Studies on the Chemical Constituents of Cirsium henryi
ZHANG Yue; RUAN Han-li; ZHANG Yong-hui; PI Hui-fang; WU Ji-zhou
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     compound A
    相似度:69.5%
Yakugaku Zasshi          1983          103          43-48
The Principles of Tetragonia tetragonoides Having an Antiulcerogenic Activity. I. Isolation and Identification of Sterylglucoside Mixture (Compound A)
EMI OKUYAMA, MIKIO YAMAZAKI
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     daucosterol+stigmasterol-3-O-glucopyranoside
    相似度:66.6%
Chinese Traditional and Herbal Drugs          2004          35          608-611
Studies on chemical constituents of Indigofera carlesii
SU Yan-fang; ZHANG Xin-xin; YANG Jing; GUO Zeng-jun; Lü Ju-xian; GUO De-an
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     胡萝卜苷棕榈酸酯
    相似度:65.2%
Chinese Pharmaceutical Journal          2008          43          971-973
Studies on Chemical Constituents of Acetyl Acetate Extracted Fraction from Veratrum dahuricum
NIE Li-yue TANG Jian~LI Hui-liang JIN Hui-zi ZHANG Wei-dong
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
7 .     compound 3
    相似度:63.0%
Natural Product Sciences          1996          2          19-23
Sterols and Sterol Glycosides from the Leaves of Gynura procumbens
Sadikun, A.; Aminah, I.; Ismail, N.; Ibrahim, P.
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
8 .     3-O-[6'-O-stearyl-β-D-glucosyl]-clerosterol
    相似度:63.0%
Phytochemistry          1994          36          167-170
Acylglucosylsterols from two Aegiphila species
Suzana G. Leitão, Maria Auxiliadora C. Kaplan, Franco Delle Monache
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
9 .     β-sitosteryl glucoside-3'-O-heptadecoicate
    相似度:63.0%
Natural Product Research and Development          1997          9(2)          7-10
STUDIES ON THE CHEMICAL CONSTITUENTS OF THE CULTIVATED DESERTLIVING CISTANCHE (CISTANCHE DESERTICOLA)
Tu Pengfei; He Yanping and Lou Zhicen
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
10 .     compound 2
C46H72O19     相似度:60.8%
Tetrahedron          1997          53          11549-11562
Novel cholestane glycosides from the bulbs of Ornithogalum saundersiae and their cytostatic activity on leukemia HL-60 and MOLT-4 cells
Minpei Kuroda, Yoshihiro Mimaki, Yutaka Sashida, Toshihiko Hirano, Kitaro Oka, Akira Dobashi, Hong-yu Li, Nobuyuki Harada
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
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2楼2015-03-12 19:41:14
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gai1988

新虫 (小有名气)

【答案】应助回帖

化合物2
1 .     α-methyl pyrrole ketone
C6H7NO     相似度:54.5%
Journal of Asian Natural Products Research          2003          5          159-163
PYRROLE ALKALOIDS FROM BOLBOSTEMMA PANICULATUM
WEN-YONG LIU, WEI-DONG ZHANG, HAI-SHENG CHEN, ZHENG-BING GU,TING-ZHAO LI and YUN-ZHOU
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
2 .     compound 3b
    相似度:54.5%
Heterocycles          2003          60          2685-2705
Nuclear Magnetic Resonance Spectroscopical Studies of 2-Carbonyl Derivatives of Five-membered Monoheterocycles and Determination of Aromaticity Indices
Kyu Ok Jeon, Ji Sook Yu, and Chang Kiu Lee*
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
3 .     2-acetylpyrrole
    相似度:54.5%
Agricultural and Biological Chemistry          1991          55          2117-2121
2-Acetylpyrrole, a Hepatoprotective Compound from Streptomyces sp. A-5071
Mayumi ITO, Hiroshi SHIMURA, Naoharu WATANABE, Masaharu TAMAI, Akiko TAKAHASHI, Yoshitaka TANAKA, Iwao ARAI, Kazunori HANADA
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
4 .     2-acetylpyrrole
    相似度:54.5%
Phytochemistry Letters          2013          6          53-58
Antiplasmodial and cytotoxic activities of Striga asiatica and Sauropus spatulifolius extracts, and their isolated constituents
Ying-Shu Zou, Kenn Foubert, Emmy Tuenter, Filip Lemière, Paul Cos, Louis Maes, Jan M.M. Smits, René de Gelder, Sandra Apers, Luc Pieters
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
5 .     α-methyl-pyrrole-ketone
    相似度:54.5%
Chinese Joumal of Experimental Traditional Medical Fomulae          2013          19          86-89
Chemical Constituents from Ampelopsis japonica
MI Jun-ling, WU Chun-jie, SUN Ling-gen, LI Chun-tong, XI Feng-min, CHEN Wan-sheng
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
6 .     Diethyl(4-chloro-2-nitrophenylamino)(4-hydroxy phenyl) methylphosphonate
C17H20ClN2O6P     相似度:50%
Bioorganic & Medicinal Chemistry Letters          2011          21          2527-2532
Ionic liquid promoted synthesis, antibacterial and in vitro antiproliferative activity of novel α-aminophosphonate derivatives
Satish A. Dake, Dnyaneshwar S. Raut, Kiran R. Kharat, Rooth S. Mhaske, Satish U. Deshmukh,Rajendra P. Pawar
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
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3楼2015-03-12 19:42:43
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