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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

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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

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


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

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


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

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


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

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


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

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


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

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


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

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


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

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


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

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


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

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


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

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


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

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


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

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


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

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


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

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


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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查看全部 11 个回答

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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