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20071070088

铁虫 (小有名气)

[求助] 求助微谱数据查询

做谱溶剂:DMSO
C谱数据(由大到小)如下:203.47, 170.04, 169.54, 158.14, 149.64, 125.25, 119.38, 98.98, 73.75, 71.47, 69.76, 63.54, 55.97, 48.57, 44.25, 42.79, 42.09, 41.84, 41.64, 41.00, 31.37, 30.64, 24.00, 21.40, 21.00, 20.89, 20.09
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还是希望在云端
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sunwen1111

银虫 (正式写手)

应该从小到大写啊!
2楼2013-01-05 11:15:37
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20071070088

铁虫 (小有名气)

送鲜花一朵
好的,重新排一哈!
做谱溶剂:DMSO
C谱数据(由小到大)如下:20.09, 20.89, 21.00, 21.40, 24.00, 30.64, 31.37, 41.00, 41.64, 41.84, 42.09, 42.79, 44.25, 48.57, 55.97, 63.54, 69.76, 71.47, 73.75, 98.98, 119.38, 125.25, 149.64, 158.14, 169.54, 170.04, 203.47
还是希望在云端
3楼2013-01-05 11:46:47
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superspace

至尊木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
20071070088: 金币+10, 有帮助 2013-01-05 16:32:18
这是你求助的化合物在相似度50%以上的匹配信息
查询结果:共查到5个化合物(查询结果仅供参考)

    1 .     withanolide D
        相似度:53.5%
    Journal of Natural Products          2010          73          1313-1317
    Antifungal and Cytotoxic Activity of Withanolides from Acnistus arborescens
    Vincent Roumy, Murielle Biabiany, Thierry Hennebelle, El Moukhtar Aliouat, Muriel Pottier, Henry Joseph, Sami Joha, Bruno Quesnel, Racha Alkhatib, Sevser Sahpaz and François Bailleul
    Structure      13C NMR   碳谱模拟图

    2 .     3-epi-bufotalin
    C26H36O6     相似度:51.8%
    Phytochemistry          2011          72          1779-1785
    Biotransformation of bufadienolides by cell suspension cultures of Saussurea involucrata
    Xing Zhang, Min Ye,Yin-hui Dong, Hong-bo Hu,Si-jia Tao, Jun Yin, De-an Guo
    Structure      13C NMR   碳谱模拟图

    3 .     10-O-acetylpatrinoside-aglycone-11-O-[4''-O-acetyl-α-L-rhamnopyranosyl-(1→2)-β-D-ribohexo-3-ulopyranoside]
    C31H46O17     相似度:50%
    Journal of Natural Products          2009          72          1798-1803
    Iridoid Glycosides from the Leaves of Sambucus ebulus
    Valerio Pieri, Stefan Schwaiger, Ernst P. Ellmerer, and Hermann Stuppner
    Structure      13C NMR   碳谱模拟图

    4 .     physacoztolide C
    C30H40O7     相似度:50%
    Journal of Natural Products          2006          69          1029-1033
    Labdanes and Withanolides from Physalis coztomatl
    Ana-L. Prez-Castorena, Ruth F. Oropeza, Alma R. Vzquez, Mahinda Martnez, and Emma Maldonado
    Structure      13C NMR   碳谱模拟图

    5 .     2,3-Seco-18α-olean-2,3,19β,28β-tetraol
        相似度:50%
    Chemistry of Natural Compounds          2011          Vol. 47, No. 2          237-242
    REDUCTION OF 2,3-Seco-28-OXO-19β,28-EPOXY-18 -OLEAN-2,3-DICARBOXYLIC ACID AND ITS CYCLIC ANHYDRIDE
    A. V. Shernyukov, I. Ya. Mainagashev, D. V. Korchagina,Yu. V. Gatilov, N. F. Salakhutdinov, and G. A. Tolstikov
    Structure      13C NMR   碳谱模拟图
4楼2013-01-05 13:37:21
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sunwen1111

银虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
20071070088: 金币+15, 有帮助 2013-01-15 14:16:36
查询结果:共查到65个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------





1 .     compound 8a
C28H38O8     相似度:64.2%
Organic & Biomolecular Chemistry          2011          9          7685-7696
Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens
Jian-Rong Wang, Hai-Li Liu, Tibor Kurtán, Attila Mándi, Sándor Antus, Jia Li, Hai-Yan Zhang and Yue-Wei Guo
Structure      13C NMR   碳谱模拟图

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




2 .     3β,6α,11α-triacetoxy-9α-hydroxy-pregn-7-ene-20(S)-carbaldehyde
    相似度:57.1%
Natural Product Research          2001          15          221-228
Short Synthesis of Novel 9,11-Secosterols
Raissa Jäälaid; Ivar Järving; Tõnis Pehk; Omar Parve; Ülo Lille
Structure      13C NMR   碳谱模拟图

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




3 .     compound 5
    相似度:56.6%
Phytochemistry          1995          38          397-401
Limonoids from seeds of Toona ciliata and their chemosystematic significance
João Oiano Neto, Sueli M.M. Agostinho, M.Fátima Das G.F.Da Silva, Paulo C. Vieira, João B. Fernandes, Antônio L. Pinheiro, Evaldo F. Vilela
Structure      13C NMR   碳谱模拟图

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




4 .     compound 4
    相似度:56.6%
Phytochemistry          1994          36          1245-1248
Two limonoids from Chisocheton microcarpus
Philip J. Gunning, Lloyd B. Jeffs, Murray B. Isman, G.H.Neil Towers
Structure      13C NMR   碳谱模拟图

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




5 .     compound 22
C30H40O7     相似度:56.6%
Journal of the Chemical Society, Perkin Transactions 1          1979                   2959-2964
Tetranortriterpenoids and related compounds. Part 22. New apotirucailol derivatives and tetranortriterpenoids from the wood and seeds of chisocheton paniculatus(meliaceae)
Joseph D. Connolly, Cecilia Labbé, David S. Rycroft and David A. H. Taylor
Structure      13C NMR   碳谱模拟图

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




6 .     melissoidesin U
C26H38O8     相似度:55.5%
Journal of Natural Products          2004          67          1441-1444
Diterpenoids from Isodon melissoides
Ai-Hua Zhao, Quan-Bin Han, Rong-Tao Li, Sheng-Hong Li, Chen Qing,Yan-Li Zhang, Qin-Shi Zhao, Fu-Sheng Wang, and Han-Dong Sun
Structure      13C NMR   碳谱模拟图

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




7 .     isowalsuranolide
C26H30O7     相似度:53.5%
Journal of Natural Products          2000          63          947-951
Tetranortriterpenoids from Walsura yunnanensis
Xiao-Dong Luo, Shao-Hua Wu, Yun-Bao Ma, and Da-Gang Wu
Structure      13C NMR   碳谱模拟图

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




8 .     comound 1A
    相似度:53.5%
Chemical & Pharmaceutical Bulletin          1990          38          3485-3487
New Withanolides, Daturataturins A and B from Datura tatura L.
Kazushi SHINGU,Shoji YAHARA and Toshihiro NOHARA
Structure      13C NMR   碳谱模拟图

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9 .     14β,15β-epoxyazadirone
    相似度:53.5%
Phytochemistry          1994          37          1417-1420
Limonoids and triterpenoid acids from the bark of Entandrophragma delevoyi
Dulcie A. Mulholland, Roy Osborne, Sianne L. Roberts, David A.H. Taylor
Structure      13C NMR   碳谱模拟图

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




10 .     1α,3β,20α-trihydroxy-20R,22R-with a-5-,24-dienolide
C28H42O5     相似度:53.5%
Phytochemistry          1981          20          1359-1364
New withanolides of biogenetic interest from Withania somnifera
Vincent Vande Velde, David Lavie
Structure      13C NMR   碳谱模拟图

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




11 .     Munronoid I
    相似度:53.3%
Tetrahedron          2012          68          566-572
Munronoids A–J, ten new limonoids from Munronia unifoliolata Oliv
Yong-Hui Ge, Jian-Xin Zhang, Su-Zhen Mu, Yan Chen, Fu-Mei Yang, Yang Lű, Xiao-Jiang Hao
Structure      13C NMR   碳谱模拟图

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




12 .     (22S,23R,24S)-16β,22:22,25-diepoxy-23-bromo-23-methoxycarbonyl-24-methyl-26,27-dinor-5β-cholestan-3α-ol acetate
C30H45BrO6     相似度:53.3%
Steroids          2011          76          1021-1031
On the reactivity of 23-methoxycarbonyl furospirostanes
Mariana Macías-Alonso, Marcos Flores-Álamo, Martin A. Iglesias-Arteaga
Structure      13C NMR   碳谱模拟图

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




13 .     6α,11β-Diacetoxygedunin
    相似度:53.1%
Phytochemistry          1996          42          1395-1398
Triterpenoids, lignans and a benzofuran derivative from the bark of Aglaia elaeagnoidea
Nicola Fuzzati, Wahjo Dyatmiko, Abdul Rahman, Fuad Achmad, Kurt Hostettmann
Structure      13C NMR   碳谱模拟图

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




14 .     guggulsterol Y
C27H46O4     相似度:51.8%
Phytochemistry          2003                   213-218
Inhibition of LPS-induced NO production by the oleogum resin of Commiphora wightii and its constituents
Meselhy R. Meselhy
Structure      13C NMR   碳谱模拟图

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




15 .     20,22-dihydro-22,23-epoxywalsuranolide
C26H30O7     相似度:51.8%
Journal of Natural Products          2000          63          947-951
Tetranortriterpenoids from Walsura yunnanensis
Xiao-Dong Luo, Shao-Hua Wu, Yun-Bao Ma, and Da-Gang Wu
Structure      13C NMR   碳谱模拟图

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




16 .     (13S)-6α,7β,15,16-tetraacetoxy-4α,18-epoxyneoclerodane 2α,19-diol
C28H44O11     相似度:51.8%
Journal of Natural Products          1999          62          594-600
From a Phagostimulant Natural Product to Semisynthetic Antifeedants Against Spodoptera littoralis Larvae: Chemical Transformations of the Neoclerodane Diterpenoid Scutegalin B
Beatriz Rodríguez, Benjamín Rodríguez, María C. de la Torre, Monique S. J. Simmonds, and Wally M. Blaney
Structure      13C NMR   碳谱模拟图

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




17 .     glabcensin P
C27H40O10     相似度:51.8%
Journal of Natural Products          1997          60          1075-1081
ent-Kaurane Diterpenoids from Isodon angustifolius var. glabresecens
Qin-Shi Zhao, Jun Tian, Jian-Min Yue, Zhong-Wen Lin, and Han-Dong Sun
Structure      13C NMR   碳谱模拟图

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




18 .     compound III
    相似度:51.8%
Acta Botanica Sinica          1994          36          159-164
The Structure of Macrocalyxin B and F
Wang Xian-rong and Wang Hong-ping
Structure      13C NMR   碳谱模拟图

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




19 .     1,2,19-triacetylseptentriosine
C26H33NO7     相似度:51.8%
Journal of Natural Products          1993          Vol 56          424
2-Acetylseptentriosine, a New Diterpenoid Alkaloid from Aconitum septentrionale
Samir A. Ross, Balawant S. Joshi, S. William Pelletier, M. Gary Newton, Arne J. Aasen
Structure      13C NMR   碳谱模拟图

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




20 .     (11E)-8,9-epoxy-2α,6α,16,19-tetrahydroxy-8αH-labda-11,13-dien-15-oic acid,γ-lactone, 2,6,19-triacetate
C26H34O9     相似度:51.8%
Journal of Natural Products          1995          Vol 58          1407-1418
Amoenolide K and Amoenolide K 19-Acetate, Two Grindelane Peroxides from Amphiachyris amoena. Isolation, Structure Determination, and Preparation of Amoenolide K from Amoenolide A by Photochemical Oxygenation
Dónal P. O'Mathúna, Raymond W. Doskotch
Structure      13C NMR   碳谱模拟图

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21 .     stenophlline B
C27H45O2N     相似度:51.8%
Acta Pharmaceutica Sinica          1988          Vol 23          584-487
THE STRUCTURE AND ABSOLUTE CONFIGURATION OF VERTALINE B ISOLATED FROM VERATRUM TALIENSE LOSE. F.
ZD Min; RX Tan; QT Zheng and CH He
Structure      13C NMR   碳谱模拟图

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22 .     verticinone
C27H43N3O     相似度:51.8%
Acta Pharmaceutica Sinica          1988          Vol 23          415-421
ISOLATION AND IDENTIFICATION OF ALKALOIDS FROM FRITILLARIA NINGGUOENSIS S.C.CHEN ET S. F. YIN
QH Li; ZH Wu; LL Zhang and L Shao
Structure      13C NMR   碳谱模拟图

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




23 .     7,11,14-Triacetyl macrocalyxin F
C24H28O7     相似度:51.8%
Phytochemistry          1995          38          921-926
Structures of macrocalyxin B, F, G and H, and maoyerabdosin from Isodon macrocalyx
Wang Xian-Rong, Wang Hong-Ping, Hu Hui-Ping, Sun Han-Dong, Wang Su-Qing, Shinichi Ueda, Yoshihiro Kuroda, Tetsuro Fujita
Structure      13C NMR   碳谱模拟图

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




24 .     longipin-2-ene-7β-acetyloxy-9α-senecioyloxy-15-angeloyloxy-1-one
    相似度:51.8%
Phytochemistry          1993          32          1219-1223
Longipinene derivatives from Stevia origanoides
Carlos M. Cerda-García-Rojas, Eugenio Sánchez-Arreola, Pedro Joseph-Nathan, Luisa U. Román, Juan D. Hernandez
Structure      13C NMR   碳谱模拟图

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25 .     18-acetoxy-friedolabd-5-en-7-one-15-oic acid meester
C23H36O5     相似度:51.8%
Phytochemistry          1991          30          3669-3677
Friedolabdanes and other constituents from chileanHaplopappus species
C. Zdero, F. Bohlmann, H.M. Niemeyer
Structure      13C NMR   碳谱模拟图

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




26 .     3-epi-bufotalin
C26H36O6     相似度:51.8%
Phytochemistry          2011          72          1779-1785
Biotransformation of bufadienolides by cell suspension cultures of Saussurea involucrata
Xing Zhang, Min Ye,Yin-hui Dong, Hong-bo Hu,Si-jia Tao, Jun Yin, De-an Guo
Structure      13C NMR   碳谱模拟图

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




27 .     methyl 7β,15-diacetoxy-8-labden-17-oate
    相似度:51.8%
Phytochemistry          1989          28          557-560
Minor labdane diterpenoids from Halimium verticillatum
Julio G. Urones,Isidro S. Marcos,David D. Martin,Maria C. Alonso Alonso,Fernando M.S. Brito Palma,Jesus M.L. Rodilla
Structure      13C NMR   碳谱模拟图

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28 .     compound 2a
    相似度:51.8%
Phytochemistry          1990          29          645-648
Bisabolane related glycosides from Carthamus lanatus
Arturo San Feliciano,Manuel Medarde,Benedicto Del Rey,Jose M. Miguel Del Corral,Alejandro F. Barrero
Structure      13C NMR   碳谱模拟图

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29 .     compound 7a
    相似度:51.8%
Phytochemistry          1990          29          645-648
Bisabolane related glycosides from Carthamus lanatus
Arturo San Feliciano,Manuel Medarde,Benedicto Del Rey,Jose M. Miguel Del Corral,Alejandro F. Barrero
Structure      13C NMR   碳谱模拟图

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30 .     5β-Solasodan-3-one
C27H43NO2     相似度:51.8%
Phytochemistry          1983          22          2102-2104
Dehydroheliamine, a trace alkaloid from the saguaro, Carnegiea gigantea (cactaceae)
Candido Ordaz, Nelson R. Ferrigni, Jerry L. Mclaughlin
Structure      13C NMR   碳谱模拟图

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31 .     teulanigerdin
C26H32O10     相似度:51.8%
Phytochemistry          1986          25          175-180
Neo-clerodane diterpenoids from Teucrium lanigerum
Juan A. Hueso-Rodríguez, Francisco Fernández-Gadea, Conrad Pascual, Benjamín Rodríguez, Giuseppe Savona, Franco Piozzi
Structure      13C NMR   碳谱模拟图

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32 .     peiminine
    相似度:51.8%
Phytochemistry          1986          25          2008-2009
Two steroidal alkaloids from fritillaria harelinii
Min Zhi-da, Qian Jing-fang, Munekazu Iinuma, Toshiyuki Tanaka, Mizuo Mizuno
Structure      13C NMR   碳谱模拟图

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33 .     compound 4b
    相似度:51.8%
Journal of the Chemical Society, Perkin Transactions 1          2000                   745-751
Secondary mould metabolites. Part 58. Modifications in basic conditions and Michael additions of the protoilludane sesquiterpene tsugicoline A; some implications for the biogenesis of other sesquiterpenoids produced by Basidiomycetes
Alberto Arnone, Cristiana De Gregorio, Andrea Mele, Gianluca Nasini and Orso Vajna de Pava
Structure      13C NMR   碳谱模拟图

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34 .     7β,9α,10β-Triacetoxytaxa-4(20),12-diene-2α,5α,11β-triol
C26H38O9     相似度:51.8%
Bioscience, Biotechnology, and Biochemistry          2011          75          1698-1701
Novel Taxa-4(20),12-diene and 2(3→20)Abeotaxane from Needles of Taxus canadensis
Zhi-Yu NI, Yi-Bing WU, Man-Li ZHANG, Yu-Fang WANG, Mei DONG, Françoise SAURIOL, Chang-Hong HUO, Qing-Wen SHI, Yu-Cheng GU, Hiromasa KIYOTA and Bin CONG
Structure      13C NMR   碳谱模拟图

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




35 .     pentacecilide C
C27H34O8     相似度:51.8%
The Journal of Antibiotics          2009          62          207-211
Pentacecilides, new inhibitors of lipid droplet formation in mouse macrophages produced by Penicillium cecidicola FKI-3765-1: II. Structure elucidation
Hiroyuki Yamazaki, Satoshi mura and Hiroshi Tomoda
Structure      13C NMR   碳谱模拟图

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36 .     Isoadenolin B
C22H28O7     相似度:51.8%
Journal of Natural Products          2011          74          1213-1220
Structure and Cytotoxicity of Diterpenoids from Isodon adenolomus
Wei Zhao, Jian-Xin Pu, Xue Du, Jia Su, Xiao-Nian Li, Jian-Hong Yang, Yong-Bo Xue, Yan Li, Wei-Lie Xiao, and Han-Dong Sun
Structure      13C NMR   碳谱模拟图

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37 .     O-methylazadironolide
C29H38O6     相似度:51.7%
Helvetica Chimica Acta          2003          Vol. 86          2787
Chemical Constituents of the Flowers of Azadirachta indica
Bina S. Siddiqui, Syed Tariq Ali, Munawwer Rasheed and Muhammad Nadeem Kardar
Structure      13C NMR   碳谱模拟图

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38 .     walsuranolide
C26H30O7     相似度:51.7%
Journal of Natural Products          2000          63          947-951
Tetranortriterpenoids from Walsura yunnanensis
Xiao-Dong Luo, Shao-Hua Wu, Yun-Bao Ma, and Da-Gang Wu
Structure      13C NMR   碳谱模拟图

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39 .     (22E,24R,25R)-24-ethyl-5α-cholest-22-en-3β,5,6β,8,15α,25,26-heptol 26-sulfate
    相似度:51.7%
Journal of Natural Products          1996          59          386-390
Two Novel Polyhydroxysteroids with a 24-Ethyl-25-hydroxy-26-sulfoxy Side Chain from the Deep Water Starfish Styracaster caroli
Francesco De Riccardis, Irene Izzo, Maria Iorizzi, Elio Palagiano, Luigi Minale, and Raffaele Riccio
Structure      13C NMR   碳谱模拟图

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40 .     brachycarpone
C29H44O6     相似度:51.7%
Journal of Natural Products          1986          Vol 49          249
The Molecular Structure and Absolute Configuration of Brachycarpone, a New Trinortriterpenoid Dilactone from Cleome brachycarpa
Viqar Uddin Ahmad, Khisal Ahmad Alvi, Masood A. Khan
Structure      13C NMR   碳谱模拟图
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