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swordofsea

金虫 (初入文坛)

[求助] 求助一化合物微谱数据结构

求助一化合物微谱数据结构
求助,我的一个化合物的碳谱数据是100.57,69.7,69.23,68.33,63.88,61.38,60.92,31.44,18.89,13.28,溶剂是D2O
化合物二的碳谱数据是97.22,92.57,77.07,75.18,73.43,72.60,72.28,70.90,70.67,61.55,61.48 溶剂是DMSO
化合物3的碳谱数据是104.60,102.40,98.49,97.31,92.64,83.32,82.32,81.38,71.16,76.31,76.16,75.74,75.26,73.50,72.75,72.37,71.00,70.73,70.32,69.60,68.18,64.72,64.13,63.48,63.41,63.37,61.64,61.51.溶剂是DMSO求助一下,忙着毕业。可以把数据发到我哦邮箱来jxbzyyhp@sina.com
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lifeliuyan

至尊木虫 (职业作家)

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swordofsea: 金币+10, ★★★★★最佳答案 2013-09-28 15:07:19
swordofsea: 金币+5, ★★★★★最佳答案 2013-09-28 15:07:44
化合物3



查询结果:共查到492个化合物(查询结果仅供参考)  
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1 .     granatumoside
     相似度:80.6%
Indian Journal of Chemistry          2006          45B          1681-1685
Phytochemical investigation of the flowers of Punica granatum
Ali,M; Sharma,N
Structure      13C NMR   碳谱模拟图

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2 .     compound 1a
     相似度:71.4%
Chemical & Pharmaceutical Bulletin          1998          46          1891-1900
Studies on the Constituents of Clematis Species. VII. Triterpenoid Saponins from the Roots of Clematis terniflora DC. var. robusta TAMURA
Yukio KAWATA,Haruhisa KIZU and Tsuyoshi TOMIMORI
Structure      13C NMR   碳谱模拟图

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3 .     Compound 9
     相似度:71.4%
Bioorganic & Medicinal Chemistry Letters          1996          6          2841-2846
Solid phase synthesis of polylactosamine oligosaccharide
Hiroki Shimizu, Yukishige Ito, Osamu Kanie, Tomoya Ogawa
Structure      13C NMR   碳谱模拟图

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4 .     polysaccharide B
     相似度:68.9%
Journal of Asian Natural Products Research          2009          11          951-957
Structural characterization of polysaccharides from the roots of Urtica fissa
Yan Li, Yan-Liang Wang, Li Li,Liu Liu, Yu-Xin Lu,Xiao-Chen Cheng and Qing-Lin Zhang
Structure      13C NMR   碳谱模拟图

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5 .     marubajalapin II
C59H98O21     相似度:67.8%
Chemical & Pharmaceutical Bulletin          1992          40          3169-3173
Resin Glycosides. XVI. Marubajalapins I-VII, New Ether-Soluble Resin Glycosides from Pharbitis purpurea
Masateru ONO,Takashi UEGUCHI,Hiroko MURATA,Toshio KAWASAKI and Kazumoto MIYAHARA
Structure      13C NMR   碳谱模拟图

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6 .     marubajalapin IV
C58H102O21     相似度:67.8%
Chemical & Pharmaceutical Bulletin          1992          40          3169-3173
Resin Glycosides. XVI. Marubajalapins I-VII, New Ether-Soluble Resin Glycosides from Pharbitis purpurea
Masateru ONO,Takashi UEGUCHI,Hiroko MURATA,Toshio KAWASAKI and Kazumoto MIYAHARA
Structure      13C NMR   碳谱模拟图

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7 .     marubajalapinVI
C60H106O21     相似度:67.8%
Chemical & Pharmaceutical Bulletin          1992          40          3169-3173
Resin Glycosides. XVI. Marubajalapins I-VII, New Ether-Soluble Resin Glycosides from Pharbitis purpurea
Masateru ONO,Takashi UEGUCHI,Hiroko MURATA,Toshio KAWASAKI and Kazumoto MIYAHARA
Structure      13C NMR   碳谱模拟图

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8 .     CSP-I
     相似度:67.8%
Chemical & Pharmaceutical Bulletin          1988          36          2654-2660
Studies on the Structure of a Minor Polysaccharide from the Bark of Melia azadirachta
YUMI KUROKAWA,TADAHIRO TAKEDA,YUKIO OGIHARA,MASAKI SHIMIZU and MAKOTO TAKAI
Structure      13C NMR   碳谱模拟图

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9 .     soyasaponin A5
C52H84O23     相似度:67.8%
Chemical & Pharmaceutical Bulletin          1988          36          2829-2839
Saponin and Sapogenol. XLIII. : Acetyl-soyasaponins A4, A5, and A6, New Astringent Bisdesmosides of Soyasapogenol A, from Japanese Soybean, the Seeds of Glycine max MERRILL.
TOSHIO TANIYAMA,YOSHIKO NAGAHAMA,MASAYUKI YOSHIKAWA and ISAO KITAGAWA
Structure      13C NMR   碳谱模拟图

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10 .     compound 5a
     相似度:67.8%
Chemical & Pharmaceutical Bulletin          1998          46          1891-1900
Studies on the Constituents of Clematis Species. VII. Triterpenoid Saponins from the Roots of Clematis terniflora DC. var. robusta TAMURA
Yukio KAWATA,Haruhisa KIZU and Tsuyoshi TOMIMORI
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------


11 .     decaisoside D
C52H84O21     相似度:67.8%
Phytochemistry          1993          33          427-430
Dammarane triterpenes from Cleome africana
Kong Jie, Li Xing-Cong, Wei Bi-Yu, Yang Chong-Ren
Structure      13C NMR   碳谱模拟图

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12 .     boholmycin hydrochloride
C27H48N4O21     相似度:67.8%
The Journal of Antibiotics          1988          41          855-861
BOHOLMYCIN, A NEW AMINOGLYCOSIDE ANTIBIOTIC I. PRODUCTION, ISOLATION AND PROPERTIES
KYOICHIRO SAITOH, MITSUAKI TSUNAKAWA, KOJI TOMITA, TAKEO MIYAKI, MASATAKA KONISHI, HIROSHI KAWAGUCHI
Structure      13C NMR   碳谱模拟图

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13 .     Dephosphorylated polysaccharide
     相似度:67.8%
Russian Journal of Bioorganic Chemistry          2007          33          57-60
The Structure of the Glycerophosphate-Containing O-Specific Polysaccharide from Escherichia coli O130
A. V. Perepelov, B. Lu, S. N. Senchenkova, S. D. Shevelev, W. Wang, A. S. Shashkov, L. Feng, L. Wang, and Yu. A. Knirel
Structure      13C NMR   碳谱模拟图

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14 .     difructosyllactosucrose
     相似度:66.6%
Magnetic Resonance in Chemistry          2002          40          541-544
NMR analysis of mono-and difructosyllactosucrose synthesized by 1F-fructosyltransferase purified from roots of asparagus (Asparagus officinalis L.)
Akira Yamamori, Eri Fukushi, Shuichi Onodera, Jun Kawabata and Norio Shiomi
Structure      13C NMR   碳谱模拟图

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15 .     glycoside I
     相似度:65.5%
Chemistry of Natural Compounds          1988          24          193-200
TRITERPENE SAPONINS OF Caltha polypetala.GLYCOSIDES G and I
M. M. Vugalter, G. E. Dekanosidze,O. D, Dzhikiya, A. S. Shashkov,and E. P. Kemertelidze
Structure      13C NMR   碳谱模拟图

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16 .     desulfated frondoside C
C61H100O26     相似度:65.5%
Canadian Journal of Chemistry          1998          76          137-141
Frondoside C, a new nonholostane triterpene glycoside from the sea cucumber Cucumaria frondosa: structure and cytotoxicity of its desulfated derivative
Sergey A. Avilov, Olga A. Drozdova, Vladimir I. Kalinin, Anatoly I. Kalinovsky,Valentin A. Stonik, Elena N. Gudimova, Ricardo Riguera, and Carlos JimØnez
Structure      13C NMR   碳谱模拟图

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17 .     O-β-D-fructofuranosyl-(2→6)-O-β-D-glucopyranosyl-(1→3)-D-glucopyranose
     相似度:65.5%
Chemistry Central Journal          2009          3          8
Structural analysis of three novel trisaccharides isolated from the fermented beverage of plant extracts
Hideki Okada, Eri Fukushi, Akira Yamamori, Naoki Kawazoe, Shuichi Onodera, Jun Kawabata and Norio Shiomi
Structure      13C NMR   碳谱模拟图

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18 .     AOS-3
     相似度:64.2%
Journal of Natural Products          2001          64          1174-1178
A Hemicellulose B Fraction from Grape Skin (Vitis vinifera, Palomino Variety)
José M. Igartuburu, E. Pando, F. Rodríguez Luis, and Antonio Gil-Serrano
Structure      13C NMR   碳谱模拟图

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19 .     coixan B
     相似度:64.2%
Planta Medica          1986          52          64-65
Isolation and Hypoglycemic Activity of Coixans A, B and C, Glycans of Coix lachryma-jobi var. ma-yuen Seeds
Michiko Takahashi, Chohachi Konno and Hiroshi Hikino
Structure      13C NMR   碳谱模拟图

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20 .     compound 17
     相似度:64.2%
Chemical & Pharmaceutical Bulletin          1989          37          42-45
Saponins from Leaves of Acanthopanax senticosus HARMS., Ciwujia. II. : Structures of Ciwujianosides A1, A2, A3, A4 and D6
Chun-Jie SHAO,Ryoji KASAI,Jing-Da XU and Osamu TANAKA
Structure      13C NMR   碳谱模拟图

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21 .     malonylgypenoside V
C57H93NaO25     相似度:64.2%
Chemical & Pharmaceutical Bulletin          1989          37          135-139
Dammarane Saponins of Gynostemma pentaphyllum MAKINO and Isolation of Malonylginsenosides-Rb1, -Rd, and Malonylgypenoside V
Masaaki KUWABARA,Fumiaki KAWANISHI,Takeya KOMIYA and Haruji OSHIO
Structure      13C NMR   碳谱模拟图

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7楼2013-09-28 14:24:18
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lifeliuyan

至尊木虫 (职业作家)

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
2楼2013-09-27 19:51:56
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swordofsea

金虫 (初入文坛)

引用回帖:
2楼: Originally posted by lifeliuyan at 2013-09-27 19:51:56
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

13.28,18.89,31.44,60.92,61.38,63.88,68.33,69.23,69.70,100.57溶剂是D2O
化合物2:61.48,61.55,70.67,70.90,72.28,72.60,73.43,75.18,77.07,92.57,97.22溶剂是DMSO
化合物3:61.51,61.64,63.37,63.41,63.48,64.13,64.72,68.18,69.60,70.32,70.73,71.00,72.37,72.75,73.50,75.26,75.74,76.16,76.31,77.16,81.38,82.32,83.32,92.64,97.31,98.49,102.40,104.60溶剂是DMSO可以发到我邮箱来jxbzyyhp@sina.com
3楼2013-09-27 20:05:04
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swordofsea

金虫 (初入文坛)

引用回帖:
2楼: Originally posted by lifeliuyan at 2013-09-27 19:51:56
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

师姐,帮忙帮我查查这3个化合物。我输的格式应该是对的吧。谢谢了!
4楼2013-09-28 12:05:25
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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
swordofsea: 金币+10, ★★★★★最佳答案 2013-09-28 14:24:38
查询结果:共查到138个化合物(查询结果仅供参考)  
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1 .     n-butyl-β-D-fructopyranoside
C10H20O6     相似度:100%
Journal of Shenyang Pharmaceutical University          2008          25          883-885
Chemical constituents of Castanea mollissima
LIU Min, ZHANG Dong-song, HUANG Shun-wang, GAO Hui-yuan, WU Li-jun
Structure      13C NMR   碳谱模拟图

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2 .     butyl-O-β-D-fructopyranoside
     相似度:100%
Journal of China Pharmaceutical University          2007          38          21-24
Chemical constituents from Thalictrum fortunei
ZHANG Xian-tao; WANG Hao; YIN Zhi-qi; YE Wen-cai; ZHAO Shou-xun
Structure      13C NMR   碳谱模拟图

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3 .     n-butyl-β-D-fructopyranoside
C10H20O6     相似度:100%
Indian Journal of Chemistry          1988          27B          12-16
Chemistry of Ayurvedic Crude Drugsart VIII-Shatavari-2:Structure Elucidation of Bioacetive Shatavarin-I & other Glycosides
JAYSHREE JOSHI & SUKH DEV
Structure      13C NMR   碳谱模拟图

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4 .     n-butyl-O-β-D-fructopyranoside
     相似度:90%
Acta Pharmaceutica Sinica          2005          Vol 40          533-535
A new flavonoid glycoside from the roots and stems of Sphaerophysa salsula
HOU Bai-ling; LI Zhan-lin; LI Xian
Structure      13C NMR   碳谱模拟图

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5 .     n-butyl-β-D-fructopyranoside
     相似度:90%
Chinese Traditional and Herbal Drugs          2009          40          874-876
线叶蓟的化学成分研究
刘学杰;仲英;王姣
Structure      13C NMR   碳谱模拟图

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6 .     n-butyl-β-D-fructopyranoside
C10H20O6     相似度:90%
Chinese Traditional and Herbal Drugs          2000          31          897-898
植物一内生真菌次生代谢产物的研究(Ⅰ)
于能江,郭顺星
Structure      13C NMR   碳谱模拟图

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7 .     1-butyl-3,4,5-trihydroxy-cyclohexanol
     相似度:90%
Chinese Traditional and Herbal Drugs          1998          29          1-3
Separation and Identification of Thellungianol from Thellung Pimpinella (Pimpinella thellungiana)
Xue Kongfang; Ma Pei(Beijing Institute of Pharmaceutical Industry; Beijing )Wang Jingzun; Wang Lei(Beijing Institute of Microchemistry);
Structure      13C NMR   碳谱模拟图

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8 .     n-butyl-β-D-fructopyranoside
     相似度:90%
Chinese Journal of Natural Medicines          2005          3          86-89
Acetylenes and Flavonoids from Artemisia scopariaⅡ
XIE Tao; LIU Jing; LIANG Jing-Yu; ZHANG Zhi-Ming; WEI Xiu-Li
Structure      13C NMR   碳谱模拟图

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9 .     n-Butyl-β-D-fructopyranoside
     相似度:90%
Archives of Pharmacal Research          2010          33          515-521
A new phenylpropane glycoside from the rhizome of Sparganium stoloniferum
Seung Young Lee, Sang Un Choi, Jei Hyun Lee, Dong Ung Lee and Kang Ro Lee
Structure      13C NMR   碳谱模拟图

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10 .     正丁基-β-D-吡喃果糖苷
    相似度:90%
Chinese Journal of Medicinal Chemistry          2005          15          217-220
The chemical constituents from Sa ussurea lappa C. B Clarke
YIN Hong-quan, QI Xiu-lan, HUA Hui-ming, PEI Yue-hu
Structure      13C NMR   碳谱模拟图
5楼2013-09-28 14:18:42
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lifeliuyan

至尊木虫 (职业作家)

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swordofsea: 金币+10, ★★★★★最佳答案 2013-09-28 14:24:20
化合物2

查询结果:共查到387个化合物(查询结果仅供参考)  
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1 .     glucose
C6H12O6     相似度:91.6%
Chinese Journal of Medicinal Chemistry          2011          21          220-225
Chemical constituents from dried fruits of Rubus chingii
XIAO Hong-ming, ZU Ling-bo, LI Shi-ping, WANG Kai-jin, LI Ning*
Structure      13C NMR   碳谱模拟图

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2 .     3-azido-3-deoxy-α-D-glucopyranosyl-(1→1')-β-D-glucopyranoside
C12H21N3O10     相似度:91.6%
Tetrahedron          2013          69          816-825
Synthesis of 3,3′-neotrehalosadiamine and related 1,1′-aminodisaccharides using disarmed, armed, and superarmed building blocks
Shazia Anjum, Natasha D. Vetter, Joseph E. Rubin, David R.J. Palmer
Structure      13C NMR   碳谱模拟图

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3 .     inotodisaccharide
     相似度:91.6%
Mycosystema          2010          29          897-910
Metabonomic analysis on production of antioxidant secondary metabolites by two geographically isolated strains of Inonotus obliquus in submerged cultures
ZHENG Wei-Fa DAI Yu-Cheng SUN Jing ZHAO Yan-Xia MIAO Kang-Jie PAN Shen-Yuan ZHANG Mei-Mei WEI Jiang-Chun
Structure      13C NMR   碳谱模拟图

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4 .     compound 11
     相似度:83.3%
Chinese Traditional and Herbal Drugs          2010          41          689-692
Chemical constituents from roots of Tinospora sagittata var. yunnanensis
CHENG Chun-mei; DAI Yun; HUANG Xiang-zhong; ZHU Yun; DAI Jian-hui; LIU Xiao-fang; WANG Jiong
Structure      13C NMR   碳谱模拟图

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5 .     Mixture of α- and β-D-Galactose
     相似度:81.8%
Phytochemistry          1998          49          1791-1795
Seven imidazole alkaloids from Lepidium sativum
Ulrich H. Maier, Heidrun Gundlach, Meinhart H. Zenk
Structure      13C NMR   碳谱模拟图

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6 .     α-D-Glucopyranosido-β-D-fructofuranoside
C12H22O11     相似度:75%
Chemistry of Natural Compounds          2007          43          214-215
CHEMICAL RESEARCH OF Caragana microphylla Seeds
Yan Huo, Cheng Guo, Shan Lu,Qiao-Yan Zhang, and Lu-Ping Qin
Structure      13C NMR   碳谱模拟图

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7 .     6-O-Monoester of Karatavikic acid and Sucrose
     相似度:75%
Chemistry of Natural Compounds          1996          32          532-534
MODIFICATIONS BASED ON COUMARINS.I. SYNTHESIS OF MONOESTERS OF KARATAVIKIC AND GALBANIC ACIDS WITH SUCROSE
A. F. Artamonova, K. A. Nusipbekova, F. S. Nigmat-llina,G. K. Nikonov, and B. Zh. Dzhienbaev
Structure      13C NMR   碳谱模拟图

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8 .     6-O-Mouomethyl Ester of Galvanic acid and Sucrose
     相似度:75%
Chemistry of Natural Compounds          1996          32          532-534
MODIFICATIONS BASED ON COUMARINS.I. SYNTHESIS OF MONOESTERS OF KARATAVIKIC AND GALBANIC ACIDS WITH SUCROSE
A. F. Artamonova, K. A. Nusipbekova, F. S. Nigmat-llina,G. K. Nikonov, and B. Zh. Dzhienbaev
Structure      13C NMR   碳谱模拟图

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9 .     trans-O-Methylmarmesinic acid
C27H38O15     相似度:75%
Chemistry of Natural Compounds          1993          29          84-86
SYNTHESIS OF A MONOESTER OF SUCROSE WITH trans-O-METHYLMARMESINIC ACID
A. F. Artamonov, F. S. Nigmatullina,and G. K. Nikonov
Structure      13C NMR   碳谱模拟图

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10 .     Sucrose
     相似度:75%
Chemistry of Natural Compounds          1993          29          84-86
SYNTHESIS OF A MONOESTER OF SUCROSE WITH trans-O-METHYLMARMESINIC ACID
A. F. Artamonov, F. S. Nigmatullina,and G. K. Nikonov
Structure      13C NMR   碳谱模拟图

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11 .     compound IV
     相似度:75%
Chemistry of Natural Compounds          1988          24          421-424
SYNTHESIS AND ISOLATION OF MONOESTERS OF SUCROSE AND ARACHIDONIC ACID
G. A. Frangulyan, A. V. Komkov, and E. P. Prokof'ev
Structure      13C NMR   碳谱模拟图

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12 .     sucrose
     相似度:75%
China Journal of Chinese Materia Medica          2002          27          361-362
Studies on the Chemical Constituents in Root of Rheum rhizastachyum
ZHAO Jun, CHANG Junmin, DU Niansheng
Structure      13C NMR   碳谱模拟图

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13 .     sucrose
     相似度:75%
Acta Pharmaceutica Sinica          2005          Vol 40          994-996
Isolation and structure identification of the chemical constituents from Gypsophila oldhamiana
SUN Jing-yong ZHONG Ying ZUO Chun-xu YIN Jun-ting WANG Bin
Structure      13C NMR   碳谱模拟图

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14 .     Sucrose
     相似度:75%
Phytochemistry          1993          32          741-745
Sinapic acid esters from Polygala virgata
Ahmad Bashir, Matthias Hamburger, Jerome D. Msonthi, Kurt Hostettmann
Structure      13C NMR   碳谱模拟图

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15 .     蔗糖(sucrose)
     相似度:75%
Chinese Traditional and Herbal Drugs          2011          42(5)          841-843
Chemical constituents in root of Actinidia chinensis
CHEN Xiao-xiao, YANG Shang-jun, BAI Shao-yan
Structure      13C NMR   碳谱模拟图
6楼2013-09-28 14:19:53
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swordofsea

金虫 (初入文坛)

送红花一朵
引用回帖:
7楼: Originally posted by lifeliuyan at 2013-09-28 14:24:18
化合物3



查询结果:共查到492个化合物(查询结果仅供参考)  
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1 .     granatumoside
     相似度:80.6%
Ind ...

谢谢了!@
8楼2013-09-28 15:08:34
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lifeliuyan

至尊木虫 (职业作家)

引用回帖:
8楼: Originally posted by swordofsea at 2013-09-28 15:08:34
谢谢了!@...

客气
9楼2013-09-28 15:34:25
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swordofsea

金虫 (初入文坛)

引用回帖:
9楼: Originally posted by lifeliuyan at 2013-09-28 15:34:25
客气...

师姐在帮我查一个化合物的维普
15.19,16.40,16.88,16.98,17.96,21.04,22.81,23.23,23.77,26.96,
27.50,28.22,30.15,32.67,36.28,36.49,38.19,38.34,38.40,38.47,41.61,46.79,46.98,52.34,54.74,76.79,124.54,138.16,178.23
10楼2013-10-02 18:30:47
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