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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 » 求助微谱数据 谢谢啦
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yu19891206

银虫 (正式写手)

[求助] 求助微谱数据 谢谢啦

溶剂是氘代氯仿和氘代甲醇  碳谱数据从大到小是150.41/149.23/147.79/145.34/126.01/124.79/123.48/122.97/122.66/110.12/109.38/106.61/103.25/103.02/93.59/79.04/78.71/78.39/56.61/56.13/55.33/54.28/49.94/49.73/49.51/49.30/49.09/48.87/48.66/45.06/42.96/40.41/36.52/24.79/24.22 我给出的数据没有去除溶剂峰  万分感谢了！！！！！
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1楼2013-11-03 10:06:14
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

感谢参与，应助指数 +1
按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如：
如：21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

请除去溶剂峰，否则查询不准确
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2楼2013-11-03 10:29:06
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yu19891206

银虫 (正式写手)
引用回帖:
2楼: Originally posted by lifeliuyan at 2013-11-03 10:29:06
按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如：
如：21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

请除去溶剂峰，否则查询不准确

好的 谢谢
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3楼2013-11-03 10:53:26
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yu19891206

银虫 (正式写手)
150.41,149.23,147.79,145.34,126.01,124.79,123.48,122.97,122.66,110.12,109.38,106.61,103.25,103.02,93.59,56.61,56.13,55.33,54.28,45.06,42.96,40.41,36.52,24.79,24.22 这是修改过后的 已经去除溶剂峰了
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4楼2013-11-03 10:57:00
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笑多会怀孕

铁杆木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
yu19891206: 金币+15, ★★★★★最佳答案, 谢谢啦 2013-11-03 12:59:55
引用回帖:
4楼: Originally posted by yu19891206 at 2013-11-03 10:57:00
150.41,149.23,147.79,145.34,126.01,124.79,123.48,122.97,122.66,110.12,109.38,106.61,103.25,103.02,93.59,56.61,56.13,55.33,54.28,45.06,42.96,40.41,36.52,24.79,24.22 这是修改过后的 已经去除溶剂峰了

查询结果：共查到26个化合物(查询结果仅供参考)
1 .     protopine hydrochloride
    相似度:62.0%
Chinese Traditional and Herbal Drugs          2011          42          1939-1944
Investigation on structure of protopine alkaloid ion-pair compounds
ZHANG, Xue, ZENG, Jian-guo, DU, Fang-lu, LI, Wen-liang, LIU, Fa-bao
Structure      13C NMR   碳谱模拟图
2 .     Isotylocrebrine
C24H27O4     相似度:56%
Phytochemistry          1995          39          695-699
Phenanthroindolizidine alkaloids from Tylophora tanakae
Fumiko Abe, Yukiko Iwase, Tatsuo Yamauchi, Keiichi Honda, Nanao Hayashi
Structure      13C NMR   碳谱模拟图
3 .     6-甲氧基-5,6-二羟基两面针碱
C22H21NO5     相似度:56%
Chinese Traditional and Herbal Drugs          2009          40          93-95
两面针的化学成分和飞龙掌血酮内酯的晶体结构
杨国红
Structure      13C NMR   碳谱模拟图
4 .     4-Hydroxy-3-methoxy-17-methyl-(2',3'-dihydro-3',6'-bis-trifluoromethyl-pyridazino)[4',5'-6,7]-morphinan
C22H23F6N3O2     相似度:56%
Archiv der Pharmazie          1997          330          163-168
Syntheses of Novel Pyridazinomorphinans by Inverse Electron Demand Cycloaddition and their Binding to μ and κ Receptors
Thilo Klindert, Isabel Stroetmann, Gunther Seitz, Georg Höfner, Klaus Th. Wanner, Gerlinde Frenzen and Brigitta Eckhoff
Structure      13C NMR   碳谱模拟图
5 .     allocryptopine hydrochloride
    相似度:56%
Chinese Traditional and Herbal Drugs          2011          42          1939-1944
Investigation on structure of protopine alkaloid ion-pair compounds
ZHANG, Xue, ZENG, Jian-guo, DU, Fang-lu, LI, Wen-liang, LIU, Fa-bao
Structure      13C NMR   碳谱模拟图
6 .     (5-((6,7,10,11-Tetramethoxy-3,4-dihydrodibenzo [f,h]isoquinolin-2(1H)-yl)methyl)furan-2-yl)methanol
C27H29NO6     相似度:53.8%
Bioorganic & Medicinal Chemistry          2012          20          5893-5900
Synthesis and evaluation of the anti-proliferative and NF-κB activities of a library of simplified tylophorine analogs
Micah J. Niphakis, Bryant C. Gay, Kwon Ho Hong, Nicholas P. Bleeker, Gunda I. Georg
Structure      13C NMR   碳谱模拟图
7 .     N,N-Pentamethylene-2-(9-demethoxyberberine bromide-9-yl)hydroxyacetamide
C26H27N2O5     相似度:53.8%
Chemistry of Natural Compounds          2013          48          1047-1053
Synthesis of berberine bromide analogs containing tertiary amides of acetic acid in the 9-O-position
I. V. Nechepurenko, N. I. Komarova, V. G. Vasil’ev
Structure      13C NMR   碳谱模拟图
8 .     protopine salicylic acid
    相似度:53.8%
Chinese Traditional and Herbal Drugs          2011          42          1939-1944
Investigation on structure of protopine alkaloid ion-pair compounds
ZHANG, Xue, ZENG, Jian-guo, DU, Fang-lu, LI, Wen-liang, LIU, Fa-bao
Structure      13C NMR   碳谱模拟图
9 .     cis-3-(3,4-dimethoxyphenyl)-4-[(E)-2,4,5-trimethoxystryl]cyclohex-1-ene
C25H30O5     相似度:52%
Chemical & Pharmaceutical Bulletin          1980          28          2948-2959
Further Characterization of the Constituents of a Thai Medicinal Plant, Zingiber cassumunar ROXB.
MASANORI KUROYANAGI,SEIGO FUKUSHIMA,KUNITOSHI YOSHIHIRA,SHINSAKU NATORI,THAWEEPHOL DECHATIWONGSE,KUNIHIDE MIHASHI,MASATOSHI NISHI and SHUUJI HARA
Structure      13C NMR   碳谱模拟图
10 .     (–)-N-methylcorydalisol
    相似度:52%
Natural Product Research          2009          23          982-987
Alkaloids from Mongolian species Hypecoum lactiflorum Kar. et Kir. Pazij
Stefan Philipov; Ralitsa Istatkova; Pavletta Denkova; Selenge Dangaa; Javzan Samdan; Marieta Krosnova; Chogsom Munkh-Amgalan
Structure      13C NMR   碳谱模拟图
11 .     7-Demethyltylophorine
C23H25NO4     相似度:52%
Phytochemistry          1995          39          695-699
Phenanthroindolizidine alkaloids from Tylophora tanakae
Fumiko Abe, Yukiko Iwase, Tatsuo Yamauchi, Keiichi Honda, Nanao Hayashi
Structure      13C NMR   碳谱模拟图
12 .     1-(3,4-Dimethoxyphenylmethyl)-3-phenyl-6,7,8-trimethoxy- 1,2,3,4-tetrahydro isoquinoline
C27H31NO5     相似度:52%
Journal of Heterocyclic Chemistry          2005          42          109-111
Synthesis of 1-(3,4-dimethoxyphenylmethyl)-3-phenyl-6,7,8-trimethoxy-3,4-dihydroisoquinoline
Adriana F. Ibañez
Structure      13C NMR   碳谱模拟图
13 .     pachycanthine
C20H19NO4     相似度:52%
Indian Journal of Chemistry Section B          2008          47B          945-951
Pachycanthine: A new isoquinoline alkaloid and its antihepatotoxic activity from Berberis pachycantha Koehne
Ahmed,Bahar; Masoodi,Mubashir H; Khan,Shamshir
Structure      13C NMR   碳谱模拟图
14 .     compound 10
    相似度:52%
Tetrahedron Letters          2003          44          6915-6918
Synthesis and absolute configuration of cordiaquinone K, antifungal and larvicidal meroterpenoid isolated from the Panamanian plant, Cordia curassavica
Arata Yajima, Fumihiro Saitou, Mayu Sekimoto, Shoichiro Maetoko, Goro Yabuta
Structure      13C NMR   碳谱模拟图
15 .     compound 3
C25H29N3O4     相似度:52%
Tetrahedron Letters          2003          44          7091-7094
A new efficient synthetic process for the construction of the pentacyclic core of marine alkaloid ecteinascidins
Ye-Feng Tang, Zhan-Zhu Liu, Shi-Zhi Chen
Structure      13C NMR   碳谱模拟图
16 .     6,7-Dimethoxy-1,2-dimethyl-3-(3,4-methylenedioxyphenyl)isoquinolinium methosulfate
C21H23NO8S     相似度:52%
Bioorganic & Medicinal Chemistry          1996          4          781-791
Coralyne and related compounds as mammalian topoisomerase I and topoisomerase II poisons
Darshan Makhey, Barbara Gatto, Chiang Yu, Angela Liu, Leroy F. Liu, Edmond J. LaVoie
Structure      13C NMR   碳谱模拟图
17 .     2,3,9,10-Tetramethoxybenz[a]acridine
C21H19NO4     相似度:52%
Bioorganic & Medicinal Chemistry          2000          8          1171-1182
Substituted benz[a]acridines and benz[c]acridines as mammalian topoisomerase poisons
Darshan Makhey, Chiang Yu, Angela Liu, Leroy F. Liu, Edmond J. LaVoie
Structure      13C NMR   碳谱模拟图
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5楼2013-11-03 12:05:54
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