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阿悠悠

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[求助] 解谱新手,多谢啦已有1人参与

溶剂:氘代吡啶
C谱数据:16.8,17.3 , 17.4,17.6,18.7,21.2 , 23.6,23.7 ,24.7,28.5,29.2,30.9,33.3,37.3,38.3,39.2,39.3,39.7,39.9,42.4,47.8,47.9,47.9,53.4,55.8,68.5,83.7,125.4,139.2,179.8
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wangkaibo123

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kerry

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【答案】应助回帖

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

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到415个化合物(查询结果仅供参考)
1 .     3,5-dimethoxy-4-hydroxyphenol 1-O-β-D-(6'-O-galloyl)glucopyranoside
C21O13H24     相似度:77.7%
Phytochemistry          1987          26          1147-1152
Phenolic glucoside gallates from quercus mongolica and q. acutissima
Kanji Ishimaru,Gen-Ichiro Nonaka,Itsuo Nishioka
Structure      13C NMR   碳谱模拟图
2 .     1-O-galloyl-6-O-(4-hydroxy-3,5-dimethoxy)benzoyl-β-D-glucose
C22H24O14     相似度:76.4%
Planta Medica          2001          67          370-371
1-O-Galloyl-6-O-(4-hydroxy-3,5-dimethoxy)benzoyl-β-D-glucose, a New Hepatoprotective Constituent from Combretum quadrangulare
I Ketut Adnyana, Yasuhiro Tezuka, Suresh Awale,Arjun H. Banskota, Kim Qui Tran, Shigetoshi Kadota
Structure      13C NMR   碳谱模拟图
3 .     3,5-二甲氧基-4-羟基苯酚1-O-β-D-芹糖基-(1→6)-O-β-D-葡萄糖苷
    相似度:75%
Chinese Traditional and Herbal Drugs          2008          39          1143-1145
毛杭子梢化学成分的研究
文屏;韩慧英;王乃利;姚新生
Structure      13C NMR   碳谱模拟图
4 .     3-methoxy-4-hydroxyphenol 1-O-β-D-(6'-O-galloyl)glucopyranoside
C20H22O12     相似度:72.2%
Phytochemistry          1987          26          1147-1152
Phenolic glucoside gallates from quercus mongolica and q. acutissima
Kanji Ishimaru,Gen-Ichiro Nonaka,Itsuo Nishioka
Structure      13C NMR   碳谱模拟图
5 .     4-hydroxy-2-methoxyphenol 1-O-β-(6'-O-galloyl)glucoside
C20H22O12     相似度:72.2%
Phytochemistry          1989          28          2443-2446
Phenol glucoside gallates from Mallotus japonicus
Reiko Saijo,Gen-ichiro Nonaka,Itsuo Nishioka
Structure      13C NMR   碳谱模拟图
6 .     4-hydroxy-2-methoxyphenol-1-O-β-D-(6'-O-galloyl)glucopyranoeide
    相似度:72.2%
Natural Product Research and Development          2013          25          1056-1059
Chemical Constituents of Bischofia Javanica
YANG Da-song, , YANG Yong-ping, YANG Yong-hong, LI Xiao-li
Structure      13C NMR   碳谱模拟图
7 .     Symcomoside A
C22H26O13     相似度:70.5%
Magnetic Resonance in Chemistry          2005          43          486-488
Structure determination of bioactive galloyl derivatives by NMR spectroscopy
Viqar Uddin Ahmad, Muhammad Zubair, Muhammad Athar Abbasi, Muhammad Abid Rashid, Nasir Rasool, Shamsun Nahar Khan, M. Iqbal Choudhary and Farzana Kousar
Structure      13C NMR   碳谱模拟图
8 .     1-(3,5-dimethoxy-4-hydroxybenzyl)-6-O-galloyl-1-O-β-D-glucopyranoside
C22H26O13     相似度:70.5%
Journal of Chinese Pharmaceutical Sciences          2010          19          256-259
Phenolic glucopyranosides from the Chinese mangrove plant Excoecaria agallocha L.
Yong-Xin Li; Xia Yu; Shan-Jiang Yu; Ai-Ying Ma; Zhi-Wei Deng; Wen-Han Lin
Structure      13C NMR   碳谱模拟图
9 .     对羟基-苯乙基-6'-O-没食子酰-β-葡萄糖苷
C21H24O11     相似度:70.5%
Natural Product Research and Development          2012          24          1549-1553
Study on Chemical Constituents from Rhodiola rosea
MA Chao-yang; LOU Zai-xiang; LV Wen-ping; WANG Hong-xin
Structure      13C NMR   碳谱模拟图
10 .     4-hydroxy-3-methoxy-phenyl-1-O-(6'-O-galloyl)-β-D-glucopyranoside
C20H22O12     相似度:70%
Acta Botanica Yunnanica          2009          31(1)          89-92
Phenolic Glucoside Gallates from the Leaves of Cynara scolymus (Compositae)
LIU Rong, J IANGMeng-Yuan,ZHOU Zhong-Yu, LIU Ji-Kai
Structure      13C NMR   碳谱模拟图
11 .     6-O-galloyglucose
    相似度:68.7%
Chemical & Pharmaceutical Bulletin          1984          32          3461-3470
Tannins and Related Compounds. XXIII. Rhubarb (4) : Isolation and Structures of New Classes of Gallotannins
YOSHIKI KASHIWADA,GENICHIRO NONAKA and ITSUO NISHIOKA
Structure      13C NMR   碳谱模拟图
12 .     methyl 6-O-galloyl-β-D-glucopyranoside
    相似度:68.7%
Natural Product Sciences          2005          11          119-122
In vitro Free Radical Scavenging and Hepatoprotective Compound from Sanguisorbae Radix
An, Ren-Bo; Tian, Yu-Hua; Oh, Hyun-Cheol; Kim, Youn-Chul
Structure      13C NMR   碳谱模拟图
13 .     supinanitriloside B
C18H23O10N     相似度:68.7%
Chemical & Pharmaceutical Bulletin          2009          57          840-845
Supinaionosides A and B: Megastigmane Glucosides and Supinanitrilosides A—F: Hydroxynitrile Glucosides from the Whole Plants of Euphorbia supina RAFINESQUE
Wen-Hu Cai, Katsuyoshi Matsunami and Hideaki Otsuka
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
2楼2014-09-08 10:59:53
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wangkaibo123

荣誉版主 (职业作家)

kerry

优秀版主

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
阿悠悠: 金币+10, ★★★很有帮助 2014-09-08 18:54:20
刚才错了


查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似度:   %(相似度>=50%)



查询结果:共查到341个化合物(查询结果仅供参考)
1 .     Corosolic acid
    相似度:74.0%
Archives of Pharmacal Research          2005          28          1135-1141
Inhibitory effect on TNF-α-induced IL-8 production in the HT29 cell of constituents from the leaf and stem ofWeigela subsessilis
Phuong Thien Thuong, WenYi Jin, JongPill Lee, RackSeon Seong and Young-Mi Lee, et al.
Structure      13C NMR   碳谱模拟图
2 .     2α-hydroxyursolic acid
C30H48O4     相似度:73.0%
Chemical & Pharmaceutical Bulletin          1993          41          2007-2009
Constituents of Prunus zippeliana Leaves and Branches
Junichi KITAJIMA and Yasuko TANAKA
Structure      13C NMR   碳谱模拟图
3 .     ursolic acid
C30H46O3     相似度:66.6%
Chemical & Pharmaceutical Bulletin          1993          41          1238-1243
Two New 2-Arylbenzofuran Derivatives from Hypoglycemic Activity-Bearing Fractions of Morus insignis
Purusotam BASNET,Shigetoshi KADOTA,Satoshi TERASHIMA,Mineo SHIMIZU and Tsuneo NAMBA
Structure      13C NMR   碳谱模拟图
4 .     ursolic acid
C30H48O3     相似度:66.6%
Chemical & Pharmaceutical Bulletin          1985          33          5355-5357
Studies on Bioactive Substances in Crude Drugs Used for Arthritic Diseases in Traditional Chinese Medicine. III. Isolation and Identification of Anti-inflammatory and Analgesic Principles from the Whole Herb of Pyrola rotundifolia L.
TAKUO KOSUGE,MASAMI YOKOTA,KIYOSHI SUGIYAMA,TAKAKI MURE,HIROYO YAMAZAWA and TOSUKE YAMAMOTO
Structure      13C NMR   碳谱模拟图
5 .     2α-Hydroxy ursolic acid
    相似度:66.6%
Archives of Pharmacal Research          1999          22          213-218
Antioxidant flavonoids and chlorogenic acid from the leaves of Eriobotrya japonica
Hyun Ah Jung, Jong Cheol Park, Hae Young Chung, Jong Kim and Jae Sue Choi
Structure      13C NMR   碳谱模拟图
6 .     ursolic acid
C30H48O3     相似度:65.3%
Records of Natural Products          2014          8          312-316
Phytochemicals from the Bark of Garcinia hombroniana and Their Biological Activities
Nargis Jamila, Melati Khairuddean, Sadiq Noor Khan , Naeem Khan and Hasnah Osman
Structure      13C NMR   碳谱模拟图
7 .     乌苏酸
    相似度:64%
Chinese Traditional and Herbal Drugs          2006          37          989-990
黑翅土白蚁的化学成分研究
薛德钧;王秀丽
Structure      13C NMR   碳谱模拟图
8 .     Asiatic acid
    相似度:62.9%
Archives of Pharmacal Research          2005          28          1135-1141
Inhibitory effect on TNF-α-induced IL-8 production in the HT29 cell of constituents from the leaf and stem ofWeigela subsessilis
Phuong Thien Thuong, WenYi Jin, JongPill Lee, RackSeon Seong and Young-Mi Lee, et al.
Structure      13C NMR   碳谱模拟图
9 .     ursolic acid
    相似度:62.9%
Chinese Pharmaceutical Journal          2009          44          1287-1290
Studies on Chemical Constituents from Rhaponticum carthamoides (Willd.) Iljin
HUANG Min-fang, LI Ning, NI Hui, JIA Xiao-guang*, LI Xian
Structure      13C NMR   碳谱模拟图
10 .     ursolic acid
    相似度:62.9%
Modern Chinese Medicine          2006          8(6)          18-20
Studies on the Chemical Constituents of Ledum palustre L.
Qiu Guihua, Zuo Wenjian, Wang Jinhui, L i Xian
Structure      13C NMR   碳谱模拟图
11 .     asiatic acid
    相似度:62.9%
Chinese Traditional and Herbal Drugs          2013          44          2052-2054
Chemical constituents in fruits of Forsythia suspensa
WU Yan-fang, WANG Xin-sheng, YUAN Yong-liang, BAI Su-ping, ZHENG Jian-fang
Structure      13C NMR   碳谱模拟图
12 .     ursolic acid
    相似度:61.5%
Journal of Shenyang Pharmaceutical University          2010          27          113-115
Isolation and identification of chemical constituents from stems and leaves of Quercus variabilis Blume
XIN Yan, LI Qian, JIA Ling-yun, YUAN Jiu-zhi, SUN Qi-shi
Structure      13C NMR   碳谱模拟图
13 .     ursolic acid
    相似度:59.2%
Journal of Shenyang Pharmaceutical University          2012          29          22-25
Isolation and identification of chemical constituents from whole plant of Polygonum hydropiper L.
HUANG Jian; HOU Peng-yi; WU Li-jun; GAO Hui-yuan
Structure      13C NMR   碳谱模拟图
14 .     methyl 16β,17-dihydroxyaphidicolan-18-oate
C21H34O4     相似度:59.0%
Phytochemistry          1998          47          423-424
16β,17-dihydroxyaphidicolan-18-oic acid, a minor diterpenoid metabolite of Cephalosporium aphidicola
James R. Hanson, Almaz Truneh
Structure      13C NMR   碳谱模拟图
15 .     maristeminol
C20H34O3     相似度:59.0%
Journal of Natural Products          1992          Vol 55          48
New Stemodane Diterpenes from Stemodia maritima
Charles D. Hufford, Babajide O. Oguntimein, Ilias Muhammad
Structure      13C NMR   碳谱模拟图
16 .     daphnezomine M
    相似度:59.0%
Natural Product Research and Development          2010          22          1024-1027
Alkaloids from Daphniphyllum calycinum Benth.
ZHU Wen-liang; LUO Du-qiang; LIU Zhao-yang
Structure      13C NMR   碳谱模拟图
17 .     compound 4
C20H30O4     相似度:59.0%
Phytochemistry          2013          95          268-276
Biotransformation of dihydroisosteviol and the effects of transformed products on steroidogenic gene expressions
Shwu-Fen Chang, Li-Ming Yang, Tsurng-Juhn Huang, Chin-Yang Chen, Shiow-Yunn Sheu, Pan-Chun Liu, Shwu-Jiuan Lin
Structure      13C NMR   碳谱模拟图
Domyallbesttohaveahappylife.
3楼2014-09-08 11:06:00
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阿悠悠

铜虫 (初入文坛)

引用回帖:
2楼: Originally posted by wangkaibo123 at 2014-09-08 10:59:53
查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可自行设定)
相似 ...

结构母核应该是乌苏烷五环三萜类化合物,就是具体的取代基位置确定不好
4楼2014-09-08 11:06:44
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阿悠悠

铜虫 (初入文坛)

引用回帖:
3楼: Originally posted by wangkaibo123 at 2014-09-08 11:06:00
刚才错了


查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可 ...

多谢啦
5楼2014-09-08 11:12:05
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zhayg

银虫 (小有名气)

引用回帖:
3楼: Originally posted by wangkaibo123 at 2014-09-08 11:06:00
刚才错了


查询模式:模糊查询
碳谱数据输入:
按从小到大顺序输入,数字间用英文半角逗号(,)分隔例如:
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项:
匹配容差: (数字格式,可 ...

请教,这是在哪儿查询的?非常感谢!
6楼2014-10-08 23:17:11
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