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小木虫论坛-学术科研互动平台 » 生物医药区 » 药学 » 求4个化合物微谱数据
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weihua20

金虫 (正式写手)

[求助] 求4个化合物微谱数据 已有2人参与

碳谱数据，从小到大，溶剂不限，求相似度最高的前20个化合物：

化合物20-4S-B2：
65.8,69.2,71.9,75.0,75.2,77.4,78.2,78.4,80.7,102.1,105.3,111.4,114.5,115.5,115.6,130.6,145.8,156.9,162.3,163.5

化合物20-4S-G2：
62.7,62.8,71.6,71.7,75.1,75.2,78.2,78.3,78.4,78.5,102.5,102.6,104.7,107.4,108.8,118.1,128.4,128.9,129.7,133.3,141.3,159.0,159.9,160.7

化合物20-4S-G4：
62.6,62.8,71.4,71.6,74.9,75.1,76.1,76.2,78.0,78.2,78.4,78.5,97.1,98.2,101.4,101.5,102.3,102.4,105.1,109.0,109.1,120.7,120.8,128.9,156.8,156.8,160.3,160.3,165.2,167.1,167.2

化合物75-4：
17.9,18.0,22.5,23.4,24.9,26.1,26.1,66.9,98.8,103.9,105.9,108.1,109.0,114.0,115.6,116.0,121.8,123.2,123.9,124.9,130.1,131.8,132.6,132.9,158.0,161.2,162.0,162.7,163.2,163.8,184.1
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1楼 2014-01-08 19:04:30
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lifeliuyan

至尊木虫 (职业作家)

【答案】应助回帖

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weihua20: 金币+15, ★★★很有帮助 2014-01-10 10:45:51
一个帖子 求助一个化合物  谢谢
第一个

查询结果：共查到723个化合物(查询结果仅供参考)
1 .     7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2H-1-benzopyran-2-one
C21H26O12     相似度:76.1%
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
2 .     osmanthuside H
    相似度:75%
Phytochemistry          1993          32          1553-1555
Phenylethanoid glycosides from Osmanthus asiaticus
Masataka Sugiyama, Masao Kikuchi
Structure      13C NMR   碳谱模拟图
3 .     Osmanthuside H [2-(4-hydroxyphenyl)ethanol β-D-apiofuranosyl(1→6)-β-D-glucopyranoside]
    相似度:75%
Bulletin of the Korean Chemical Society          2009          30          1035-1038
Gamnamoside, a Phenylpropanoid Glycoside from Persimmon Leaves (Diospyros kaki) with an Inhibitory Effect against an Alcohol Metabolizing Enzyme
Titto Varughese, Mozahidur Rahaman, No Soo Kim, Soon Chang Cho, Surk Sik Moon*
Structure      13C NMR   碳谱模拟图
4 .     osmanthuside H
    相似度:75%
Chemistry & Biodiversity          2013          10          96-128
Chemical Constituents and Biological Activities of Plants from the Genus Ligustrum
Bei-Bei Gao, Gai-Mei She and Dong-Mei She
Structure      13C NMR   碳谱模拟图
5 .     Osmanthuside H
    相似度:75%
Lishizhen Medicine and Materia Medica Research          2008          19          2000-2002
Studies on Chemical Constituents of Angelica dahurica
ZHAO Xing-zeng; JIA Xiao-dong; CHEN Jun; WANG Ming; DONG Yun-fa; FENG Xu
Structure      13C NMR   碳谱模拟图
6 .     apiosylepirhododendrin
C21H32O11     相似度:71.4%
Chemical & Pharmaceutical Bulletin          1983          31          1923-1928
Studies on the Constituents of Aceraceae Plants. V. Two Diarylheptanoid Glycosides and an Arylbutanol Apiosylglucoside from Acer nikoense
MASAHIRO NAGAI,MASAYOSHI KUBO,KUNIO TAKAHASHI,MASAO FUJITA and TAKAO INOUE
Structure      13C NMR   碳谱模拟图
7 .     chavicol 4-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranosyl
C20H28O10     相似度:70%
Phytochemistry          2007          68          2531-2536
Anticancer diarylheptanoid glycosides from the inner bark of Betula papyrifera
Vakhtang Mshvildadze, Jean Legault, Serge Lavoie, Charles Gauthier, André Pichette
Structure      13C NMR   碳谱模拟图
8 .     antiarisin B
C20H24O10     相似度:70%
Planta Medica          2009          75          340-345
Phenylpropanoid and Lignan Derivatives from Antiaris toxicaria and their Effects on Proliferation and Differentiation of an Osteoblast-Like Cell Line
Miao-Miao Jiang, Hao Gao, Yi Dai, Xue Zhang, Nai-LiWang, Xin-Sheng Yao
Structure      13C NMR   碳谱模拟图
9 .     (2R)-4-(4-hydroxyphenyl)-2-butanol 2-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside
    相似度:70%
Chemical & Pharmaceutical Bulletin          1995          43          1937-1942
Chemical Evaluation of Betula Species in Japan. I.Constituents of Betula ermanii
Hiroyuki FUCHINO,Tetsuya SATOH and Nobutoshi TANAKA
Structure      13C NMR   碳谱模拟图
10 .     apiosylskimmin
    相似度:70%
Journal of Natural Products          1992          Vol 55          l26l
Chemical Constituents of Three Rutaceae Species from Sri Lanka
E. M. Kithsiri Wijeratne, B. M. Ratnayake Bandara, A. A. Leslie Gunatilaka, Yasuhiro Tezuka, Tohru Kikuchi
Structure      13C NMR   碳谱模拟图
11 .     aesculetin-6-O-β-D-apiofuranosyl-(1→6)-O-β-D-glucopyranosid
    相似度:70%
Phytochemistry          1995          38          803-804
A coumarin glycoside from Lonicera gracilipes var. Glandulosa
Noriko Matsuda, Masao Kikuchi
Structure      13C NMR   碳谱模拟图
12 .     2-(p-Hydroxyphenyl)-ethanol 1-O-β-D-apiofuranosyl(1→6)-β-D-glucopyranoside
C19H28O11     相似度:70%
Phytochemistry          1994          35          209-215
Phenolic constituents of phellodendron amurense bark
Yoshiteru Ida, Yohko Satoh, Masumi Ohtsuka, Miki Nagasao, Junzo Shoji
Structure      13C NMR   碳谱模拟图
13 .     apiosylrhododendrin
    相似度:70%
Phytochemistry          1994          36          79-83
Rhododendrol glycosides and phenyl glucoside esters from inner bark of Betula pubescens
Hefeng Pan, Lennart N. Lundgren
Structure      13C NMR   碳谱模拟图
14 .     apiosylepirhododendrin
    相似度:70%
Phytochemistry          1994          36          79-83
Rhododendrol glycosides and phenyl glucoside esters from inner bark of Betula pubescens
Hefeng Pan, Lennart N. Lundgren
Structure      13C NMR   碳谱模拟图
15 .     (2R)-4-(4-hydroxyphenyl)-2-butanol 2-O-β-D-apiofuranosyl-(1→6)-β-D-glucopyranoside
    相似度:70%
Phytochemistry          1993          32          365-369
Arylbutanoid and diarylheptanoid glycosides from inner bark of Betula pendula
Elita Šmite, Lennart N. Lundgren, Rolf Andersson
Structure      13C NMR   碳谱模拟图
16 .     osmanthuside H
    相似度:70%
China Journal of Chinese Materia Medica          2010          35          861-864
Chemical constituents from fruits of Ligustrum lucidum
HUANG Xiaojun; YIN Zhiqi; YE Wencai; SHEN Wenbin
Structure      13C NMR   碳谱模拟图
17 .     everlastoside E
C19H28O11     相似度:70%
Heterocycles          2009          78          1235-1242
Medicinal Flowers. XXVIII. Structures of Five New Glycosides, Everlastosides A, B, C, D, and E, from the Flowers of Helichrysum arenarium
Li-Bo Wang, Toshio Morikawa, Seikou Nakamura, Kiyofumi Ninomiya, Hisashi Matsuda, Osamu Muraoka, Li-Jun Wu, and Masayuki Yoshikawa
Structure      13C NMR   碳谱模拟图
18 .     skimmin
    相似度:70%
Chinese Pharmaceutical Journal          2009          44          1851-1853
Research on the Chemical Constituents in Leaves of Camellia semiserrata Chi.
LIN Hong-jing, FENG Bao-min, SHI Li-ying, TANG Ling, WANG Yong-qi
Structure      13C NMR   碳谱模拟图
19 .     aesculetin-6-O-β-D-apiofuranosyl-(1→6)-O-β-D-glucopyranoside
    相似度:70%
Lishizhen Medicine and Materia Medica Research          2008          19          2000-2002
Studies on Chemical Constituents of Angelica dahurica
ZHAO Xing-zeng; JIA Xiao-dong; CHEN Jun; WANG Ming; DONG Yun-fa; FENG Xu
Structure      13C NMR   碳谱模拟图
20 .     skimmin
C15H16O8     相似度:70%
Journal of China Pharmaceutical University          2011          42          310-313
Chemical constituents from Artemisia rupestris L.
WANG, Hao, DU, Hui-bin, ZHU, Feng-yan, SHANG, Jing, SILAFU, Aibai
Structure      13C NMR   碳谱模拟图
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2楼2014-01-08 20:38:59
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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
weihua20: 金币+15, ★★★很有帮助 2014-01-10 10:46:13
查询结果：共查到508个化合物(查询结果仅供参考)
1 .     mullberroside A
    相似度:80.7%
Fitoterapia          2009          80          475-477
In vivo hypoglycemic effects of phenolics from the root bark of Morus alba
Mi Zhang, Man Chen, Han-Qing Zhang , Shi Sun , Bing Xia , Fei-Hua Wu
Structure      13C NMR   碳谱模拟图
2 .     mulberrosidea
C26H32O14     相似度:80.7%
Natural Product Research and Development          2010          22          416-418
Studies on the Chemical Constituents of the Root Bark of Morus alba L.
ZHANG Mi; CHEN Man; ZHANG Han-qing; SUN Shi
Structure      13C NMR   碳谱模拟图
3 .     mulberroside A
    相似度:80.7%
Natural Medicines          1996          50          103-108
Pharmacological Properties of Traditional Medicines (XXI) : Analysis of Plasma, Urine and Bile of Rats after Oral Administration of Water Extract of Mori Cortex
QIU FENG,KOMATSU KEN-ICHI, et al.
Structure      13C NMR   碳谱模拟图
4 .     gnetifolin K
    相似度:77.7%
Helvetica Chimica Acta          2008          Vol. 91          159
Stilbene Derivatives from Gnetum montanum Markgr. f. megalocarpum Markgr.
Li-Qin Wang, You-Xing Zhao, Jiang Miao Hu, Ai-Qun Jia, and Jun Zhou
Structure      13C NMR   碳谱模拟图
5 .     cis-mulberroside A
    相似度:73.0%
Natural Medicines          1996          50          103-108
Pharmacological Properties of Traditional Medicines (XXI) : Analysis of Plasma, Urine and Bile of Rats after Oral Administration of Water Extract of Mori Cortex
QIU FENG,KOMATSU KEN-ICHI, et al.
Structure      13C NMR   碳谱模拟图
6 .     kaempferol 5,4'-di-O-glucoside
C27H30O16     相似度:72%
Phytochemistry          2008          69          1141-1149
Regioselective formation of quercetin 5-O-glucoside from orally administered quercetin in the silkworm, Bombyx mori
Chikara Hirayama, Hiroshi Ono, Yasumori Tamura, Kotaro Konno,Masatoshi Nakamura
Structure      13C NMR   碳谱模拟图
7 .     mulberroside A
    相似度:70.8%
Journal of Natural Products          1986          Vol 49          218
Two Phenolic Glycosides from the Root Bark of the Cultivated Mulberry Tree (Morus lhou)
Kazuhiro Hirakura, Yoshihiro Fujimoto, Toshio Fukai, Taro Nomura
Structure      13C NMR   碳谱模拟图
8 .     Pieceid-(1→6)-β-D-glucopyranoside
C26H32O13     相似度:70.8%
Parasitology Research          2007          101          237-241
Antiplasmodial activity of novel stilbene derivatives isolated from Parthenocissus tricuspidata from South Korea
Il Hong Son, Ill-Min Chung, Sun-Joo Lee, Hyung-In Moon
Structure      13C NMR   碳谱模拟图
9 .     piceatannol-3,4'-O-β-D-diglucopyranoside
    相似度:69.2%
Archives of Pharmacal Research          2000          23          159-162
A new stilbene diglycoside from Rheum undulatum
Sung Kwon Ko
Structure      13C NMR   碳谱模拟图
10 .     resveratrol-3-O-β-D-glucopyranosyl-(1→3)-β-D-glucopyranoside
C26H32O13     相似度:69.2%
China Journal of Chinese Materia Medica          2013          38          1531-1535
Phenylpropanoids and diphenylethene compounds from roots and rhizomes of Smilax scobinicaulis
WANG Ping, XU Jing, WANG Qi, FENG Shi-xiu, CHEN Tao, ZHANG Cun-li
Structure      13C NMR   碳谱模拟图
11 .     (3R)-hydrangenol 8,4 -di-O-β-D-glucopyranoside
C27H32O14     相似度:68%
Chemical & Pharmaceutical Bulletin          2008          56(4)          610-611
Three New Glycosides from the Leaves of Hydrangea macrophylla subsp. serrata (THUNB.) MAKINO
Masao KIKUCHI,Rie KAKUDA, Masafumi KIKUCHI, and Yasunori YAOITA
Structure      13C NMR   碳谱模拟图
12 .     10-O-β-Dglucopyranosylaloenin
C25H32O15     相似度:68%
Acta Pharmaceutica Sinica          2013          48          723-727
A novel naphthalene derivative from Aloe barbadensis
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3楼2014-01-08 20:42:44
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