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蕾子1216

金虫 (小有名气)

[求助] 求微谱,相似度80%以上的,谢谢各位了!!

(1)C: 16.44,16.75,16.81,16.92,17.23,17.29,17.45,17.68,19.29,19.58,22.32,24.59, 24.68,24.77,24.93,25.06,26.54,26.99,27.18,28.49,29.05,29.15,29.31,29.47,33.99,35.89,38.88,39.12,39.31,40.37,40.68,40.86,41.14,42.46,42.56,42.65,42.95,45.11,46.71,47.88,51.78,56.72,64.36,67.07,69.44,73.52,79.30,80.00,82.43,84.47,124.62,125.54,129.27,139.98,144.63,157.67
(2)C:
20.67,29.47,30.94,32.42,37.13,64.55,72.59,101.29,120.11,200.99
(3)C:
17.71,17.81,17.91,18.32,18.73,19.51,19.92,22.78,24.63,25.13,25.19,26.91,27.46,27.59,29.85,29.95,34.03,39.01,39.17,39.3,40.35,40.93,41.09,42.68,42.87,43.38,48.14,48.35,48.42,48.80,49.26,55.12,56.47,66.60,69.10,73.20,79.86,84.37,128.73,140.51,181.29

由于刚注册,金币太少,请大伙见谅呀!


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至尊木虫 (著名写手)

【答案】应助回帖

感谢参与,应助指数 +1
这是化合物1的相似度在60%以上的匹配信息
     1 .     3-O-Carboxyglutarate of α,β-amyrin
        相似度:67.8%
    Bioorganic & Medicinal Chemistry          2011          19          1268-1276
    Amyrin esters induce cell death by apoptosis in HL-60 leukemia cells
    Francisco W. A. Barros, Paulo N. Bandeira, Daisy J. B. Lima, Assuero S. Meira, Silvana S. de Farias,Maria Rose J. R. Albuquerque, Hélcio S. dos Santos, Telma L. G. Lemos, Manoel Odorico de Morais,Letícia Veras Costa-Lotufo, Claudia do Ó Pessoa
    Structure      13C NMR   碳谱模拟图

    2 .     Sanguidiogenin E
    C60H90O13     相似度:66.6%
    Tetrahedron          2004          60          11647-11654
    Four new dimeric triterpene glucosides from Sanguisorba officinalis
    Xin Liu, Bingfeng Shi, Biao Yu
    Structure      13C NMR   碳谱模拟图

    3 .     Sanguidiogenin C
    C60H90O13     相似度:65%
    Tetrahedron          2004          60          11647-11654
    Four new dimeric triterpene glucosides from Sanguisorba officinalis
    Xin Liu, Bingfeng Shi, Biao Yu
    Structure      13C NMR   碳谱模拟图

    4 .     3-O-Carboxymaleinate of α,β-amyrin
        相似度:64.2%
    Bioorganic & Medicinal Chemistry          2011          19          1268-1276
    Amyrin esters induce cell death by apoptosis in HL-60 leukemia cells
    Francisco W. A. Barros, Paulo N. Bandeira, Daisy J. B. Lima, Assuero S. Meira, Silvana S. de Farias,Maria Rose J. R. Albuquerque, Hélcio S. dos Santos, Telma L. G. Lemos, Manoel Odorico de Morais,Letícia Veras Costa-Lotufo, Claudia do Ó Pessoa
    Structure      13C NMR   碳谱模拟图

    5 .     Sanguidiogenin A
    C60H90O13     相似度:63.3%
    Tetrahedron          2004          60          11647-11654
    Four new dimeric triterpene glucosides from Sanguisorba officinalis
    Xin Liu, Bingfeng Shi, Biao Yu
    Structure      13C NMR   碳谱模拟图

    6 .     Sanguidiogenin B
    C60H90O13     相似度:61.6%
    Tetrahedron          2004          60          11647-11654
    Four new dimeric triterpene glucosides from Sanguisorba officinalis
    Xin Liu, Bingfeng Shi, Biao Yu
    Structure      13C NMR   碳谱模拟图

    7 .     skimmiarepin C
        相似度:60.7%
    Natural Product Research          2004          18          117-122
    A new insecticidal protolimonoid from Aegle Marmelos
    J.K.R. Radhika Samarasekera; Bhupinder P. S. Khambay; K. Patrick Hemalal
    Structure      13C NMR   碳谱模拟图

    8 .     coreanogenoic acid monomethyl ester
        相似度:60.6%
    Phytochemistry          1990          29          3275-3280
    A dimeric triterpene-glycoside from Rubus coreanus
    Kazuhiro Ohtani,Chikako Miyajima,Tomoko Takahasi,Ryoji Kasai,Osamu Tanaka,Dug-Ryong Hahn,Naohiro Naruhashi
    Structure      13C NMR   碳谱模拟图

    9 .     Pseudosanguidiogenin A
    C60H90O13     相似度:60%
    Tetrahedron          2004          60          11647-11654
    Four new dimeric triterpene glucosides from Sanguisorba officinalis
    Xin Liu, Bingfeng Shi, Biao Yu
    Structure      13C NMR   碳谱模拟图
2楼2012-11-18 13:49:07
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superspace

至尊木虫 (著名写手)

【答案】应助回帖

这是化合物2在相似度60%以上的匹配信息
     1 .     2,2'-Oxy–bis-(methylene)-bis-(6,6-dimethylbicyclo[3.1.1]hept-2-ene)
        相似度:70%
    Chemistry of Natural Compounds          2011          Vol. 47, No. 4          556-565
    ALKYLATION OF PHENOL BY MYRTENOL
    A. A. Koroleva, I. Yu. Chukicheva,I. V. Fedorova, and A. V. Kuchin
    Structure      13C NMR   碳谱模拟图

    2 .     grasshopper ketone
        相似度:69.2%
    Archives of Pharmacal Research          2008          31          1094-1097
    Chemical constituents from the flower of Datura metel L.
    Hai-xue Kuang, Bing-you Yang, Yong-gang Xia and Wei-sheng Feng
    Structure      13C NMR   碳谱模拟图

    3 .     (3S,5R,8R)-3,5-dihydroxymegastigma-6,7-dien-9-one
        相似度:69.2%
    Archives of Pharmacal Research          2011          34          533-542
    Isolation of megastigmane sesquiterpenes from the silkworm (Bombyx mori L.) droppings and their promotion activity on HO-1 and SIRT1
    Ji-Hae Park, Do-Gyeong Lee, Seung-Woo Yeon, Hyuk-Sang Kwon and Jong-Hee Ko, et al.
    Structure      13C NMR   碳谱模拟图

    4 .     3S,5R-dihydroxy-6R,7-megstigmadien-9-one
    C13H20O3     相似度:69.2%
    Chinese Journal of Natural Medicines          2011          9          115-119
    Chemical Constituents of Toona ciliata var. pubescens
    LIU Yu-Bo, CHENG Xiang-Rong, QIN Jiang-Jiang, YAN Shi-Kai, JIN Hui-Zi *, ZHANG Wei-Dong
    Structure      13C NMR   碳谱模拟图

    5 .     grasshopper ketone
    C13H20O3     相似度:66.6%
    Natural Product Sciences          2007          13          365-368
    Apocarotenoids from an Association of Two Marine Sponges
    Shinde, Pramod B.; Kim, Mi-Ae; Son, Byeng-Wha; Lee, Chong-O.; Jung, Jee-H.
    Structure      13C NMR   碳谱模拟图

    6 .     apo-9'-fucoxanthinone
    C15H22O4     相似度:64.2%
    Natural Product Sciences          2007          13          365-368
    Apocarotenoids from an Association of Two Marine Sponges
    Shinde, Pramod B.; Kim, Mi-Ae; Son, Byeng-Wha; Lee, Chong-O.; Jung, Jee-H.
    Structure      13C NMR   碳谱模拟图

    7 .     compound 4g
        相似度:60%
    Indian Journal of Chemistry          2005          44B          1512-1514
    Microwave assisted rapid synthesis of 3-alkoxy-2-cyclohexen-1-ones from 1,3-cyclohexanedione
    Murugan,R; Reddy,B S R
    Structure      13C NMR   碳谱模拟图

    8 .     Sabinene
        相似度:60%
    Molecules          2011          16          3077-3088
    Components and Insecticidal Activity against the Maize Weevils of Zanthoxylum schinifolium Fruits and Leaves
    Cheng Fang Wang, Kai Yang, Hai Ming Zhang, Jie Cao, Rui Fang, Zhi Long Liu, Shu Shan Du, Yong Yan Wang, Zhi Wei Deng and Ligang Zhou
    Structure      13C NMR   碳谱模拟图

    9 .     compound 91
        相似度:60%
    Organic Magnetic Resonance          1975          7          426-432
    13C-NMR-Spektren von Monoterpenen
    F. Bohlmann, R. Zeisberg and E. Klein
    Structure      13C NMR   碳谱模拟图

    10 .     compound 93
        相似度:60%
    Organic Magnetic Resonance          1975          7          426-432
    13C-NMR-Spektren von Monoterpenen
    F. Bohlmann, R. Zeisberg and E. Klein
    Structure      13C NMR   碳谱模拟图

    11 .     (1R,2R,4R)-1-Isopropyl-4-methylbicyclo [3.1.0]hexan-2-ol
        相似度:60%
    Journal of Agricultural and Food Chemistry          2011          59          677-683
    Hemisynthesis of Dihydroumbellulols from Umbellulone:New Cooling Compounds
    CHRISTIAN STARKENMANN,* ISABELLE CAYEUX, ROBERT BRAUCHLI, AND FABIENNE MAYENZET
    Structure      13C NMR   碳谱模拟图
3楼2012-11-18 13:51:27
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superspace

至尊木虫 (著名写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
蕾子1216: 金币+10, ★★★★★最佳答案 2012-11-18 16:30:41
这是化合物3的相似度在70%以上的匹配信息
     1 .     3-O-cis-p-coumaroyltormentic acid
        相似度:73.1%
    Phytochemistry          2002          59          315-323
    Production of bioactive triterpenes by Eriobotrya japonica calli
    Shoko Taniguchi, Yoko Imayoshi, Eri Kobayashi, Yoshie Takamatsu, Hideyuki Ito,Tsutomu Hatano, Hiroshi Sakagami, Harukuni Tokuda, Hoyoku Nishino,Daigo Sugita, Susumu Shimura, Takashi Yoshida
    Structure      13C NMR   碳谱模拟图

    2 .     3-O-trans-p-coumaroyltormentic acid
        相似度:73.1%
    Chemical & Pharmaceutical Bulletin          1989          37          648-651
    Cytotoxic Triterpenes from a Chinese Medicine, Goreishi
    Atsushi NUMATA,Peiming YANG,Chika TAKAHASHI,Ryoko FUJIKI,Michiko NABAE and Eiichi FUJITA
    Structure      13C NMR   碳谱模拟图

    3 .     rosamultin
        相似度:73.1%
    Natural Product Sciences          2007          13          160-163
    An Ellagic Acid Rhamnoside from the Roots of Potentilla discolor with Protein Glycation and Rat Lens Aldose Reductase Inhibitory Activity
    Jang, Dae-Sik; Yoo, Nam-Hee; Kim, Jong-Min; Lee, Yun-Mi; Yoo, Jeong-Lim; Kim, Young-Sook; Kim, Jin-Sook
    Structure      13C NMR   碳谱模拟图

    4 .     (+)-tomentoside
    C36H58O10     相似度:73.1%
    Korean Journal of Pharmacognosy          2000          31(3)          357-363
    Phytochemical Constituents of Actinidia arguta
    Whang, Joon-Ih; Zee, Ok-Pyo; Moon, Hyung-In
    Structure      13C NMR   碳谱模拟图

    5 .     3-O-trans-p-coumaroyltormentic acid
        相似度:70.7%
    Phytochemistry          2002          59          315-323
    Production of bioactive triterpenes by Eriobotrya japonica calli
    Shoko Taniguchi, Yoko Imayoshi, Eri Kobayashi, Yoshie Takamatsu, Hideyuki Ito,Tsutomu Hatano, Hiroshi Sakagami, Harukuni Tokuda, Hoyoku Nishino,Daigo Sugita, Susumu Shimura, Takashi Yoshida
    Structure      13C NMR   碳谱模拟图

    6 .     3-O-cis-p-coumaroyltormentic acid
        相似度:70.7%
    Chemical & Pharmaceutical Bulletin          1989          37          648-651
    Cytotoxic Triterpenes from a Chinese Medicine, Goreishi
    Atsushi NUMATA,Peiming YANG,Chika TAKAHASHI,Ryoko FUJIKI,Michiko NABAE and Eiichi FUJITA
    Structure      13C NMR   碳谱模拟图

    7 .     glucosyl tormentate
        相似度:70.7%
    Phytochemistry          1992          31          3642-3644
    Oleanane and ursane glucosides from Rubus species
    Zhou Xiao-Hong, Ryoji Kasai, Kazuhiro Ohtani, Osamu Tanaka, Nie Rui-Lin, Yang Chong-Ren, Zhou Jun, Kazuo Yamasaki
    Structure      13C NMR   碳谱模拟图
4楼2012-11-18 13:55:28
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