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[求助] 解譜新手，多謝啦已有1人參與

溶劑：氘代吡啶
C譜數(shù)據(jù)：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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1樓 2014-09-08 10:58:41

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感謝參與，應(yīng)助指數(shù) +1

查詢模式：模糊查詢
碳譜數(shù)據(jù)輸入：
按從小到大順序輸入，數(shù)字間用英文半角逗號(hào)(,)分隔例如：
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶劑選項(xiàng)：
匹配容差： (數(shù)字格式，可自行設(shè)定)
相似度： %(相似度>=50%)

查詢結(jié)果：共查到415個(gè)化合物(查詢結(jié)果僅供參考)
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 碳譜模擬圖
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 碳譜模擬圖
3 .    3,5-二甲氧基-4-羥基苯酚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
毛杭子梢化學(xué)成分的研究
文屏;韓慧英;王乃利;姚新生
Structure    13C NMR 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
9 .    對(duì)羥基-苯乙基-6'-O-沒(méi)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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖

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Domyallbesttohaveahappylife.

2樓2014-09-08 10:59:53

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【答案】應(yīng)助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
阿悠悠: 金幣+10, ★★★很有幫助 2014-09-08 18:54:20

剛才錯(cuò)了

查詢模式：模糊查詢
碳譜數(shù)據(jù)輸入：
按從小到大順序輸入，數(shù)字間用英文半角逗號(hào)(,)分隔例如：
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶劑選項(xiàng)：
匹配容差： (數(shù)字格式，可自行設(shè)定)
相似度： %(相似度>=50%)

查詢結(jié)果：共查到341個(gè)化合物(查詢結(jié)果僅供參考)
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
7 .    烏蘇酸
相似度:64%
Chinese Traditional and Herbal Drugs       2006       37       989-990
黑翅土白蟻的化學(xué)成分研究
薛德鈞;王秀麗
Structure    13C NMR 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖
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 碳譜模擬圖

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3樓2014-09-08 11:06:00

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引用回帖:

2樓: Originally posted by wangkaibo123 at 2014-09-08 10:59:53
查詢模式：模糊查詢
碳譜數(shù)據(jù)輸入：
按從小到大順序輸入，數(shù)字間用英文半角逗號(hào)(,)分隔例如：
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶劑選項(xiàng)：
匹配容差： (數(shù)字格式，可自行設(shè)定)
相似 ...

結(jié)構(gòu)母核應(yīng)該是烏蘇烷五環(huán)三萜類化合物，就是具體的取代基位置確定不好

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4樓2014-09-08 11:06:44

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3樓: Originally posted by wangkaibo123 at 2014-09-08 11:06:00
剛才錯(cuò)了

查詢模式：模糊查詢
碳譜數(shù)據(jù)輸入：
按從小到大順序輸入，數(shù)字間用英文半角逗號(hào)(,)分隔例如：
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶劑選項(xiàng)：
匹配容差： (數(shù)字格式，可 ...

多謝啦

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5樓2014-09-08 11:12:05

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zhayg

銀蟲(chóng) (小有名氣)

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請(qǐng)教，這是在哪兒查詢的？非常感謝！

贊一下

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6樓2014-10-08 23:17:11

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