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po9lkmnb

木虫 (初入文坛)

[求助] 微谱求助，谢谢!已有2人参与

溶剂：氘代氯仿
碳谱数据：11.86,11.99,14.06,15.22,18.78,19.04,19.33,19.83,20.13,21.03,21.87,22.01,22.62,23.06,24.30,25.07,25.23,25.51,25.70,25.96,26.07,27.81,28.25,29.14,29.36,29.71,31.32,31.60,31.75,31.86,32.19,32.85,33.80,34.66,36.16,36.60,37.22,39.48,42.31,45.33,45.83,47.18,47.87,48.80,50.02,52.26,56.03,56.69,72.08,73.77,74.29,75.12,80.44,105.94,122.62,127.98,128.15,136.54,136.66,139.70,156.91,173.73
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1楼2014-11-17 11:51:45
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wangkaibo123

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kerry

优秀版主

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
po9lkmnb: 金币+10, ★有帮助 2014-11-17 11:56:59
查询模式：模糊查询
碳谱数据输入：
按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如：
21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2

溶剂选项：
匹配容差： (数字格式，可自行设定)
相似度：   %(相似度>=50%)



查询结果：共查到239个化合物(查询结果仅供参考)
1 .     Benzyl (+/-)-7α,12α-dihydroxy-3α-(3-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl}propanoyloxy)-5β-cholan-24-oate
    相似度:71.8%
Steroids          2013          78          435-453
New propanoyloxy derivatives of 5β-cholan-24-oic acid as drug absorption modifiers
Lenka Coufalová, Lech Mrózek, Lucie Rárová, Lukáš Plaček, Radka Opatřilová, Jiří Dohnal, Katarína Král’ová, Oldřich Paleta, Vladimír Král, Pavel Drašar, Josef Jampílek
Structure      13C NMR   碳谱模拟图
2 .     Benzyl (+/-)-3α,7α,12α-tris(3-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl}propanoyloxy)-5β-cholan-24-oate
    相似度:67.7%
Steroids          2013          78          435-453
New propanoyloxy derivatives of 5β-cholan-24-oic acid as drug absorption modifiers
Lenka Coufalová, Lech Mrózek, Lucie Rárová, Lukáš Plaček, Radka Opatřilová, Jiří Dohnal, Katarína Král’ová, Oldřich Paleta, Vladimír Král, Pavel Drašar, Josef Jampílek
Structure      13C NMR   碳谱模拟图
3 .     7β-tert-Butyldimethylsilyloxysitosteryl-9,10-ditert-butyldimethylsilyloxystearate
C65H126O5Si3     相似度:66.1%
Steroids          2008          73          1098-1109
Synthesis of highly pure oxyphytosterols and (oxy)phytosterol esters: Part II. (Oxy)-sitosterol esters derived from oleic acid and from 9,10-dihydroxystearic acid [1]
Diane Julien-David, Philippe Geoffroy, Eric Marchioni, Françis Raul, Dalal Aoudé-Werner, Michel Miesch
Structure      13C NMR   碳谱模拟图
4 .     β-sitosteryl acetate
    相似度:66.1%
Chemical Communications          1978                   319-320
Biosynthesis of β-sitosterol from [4-13C]mevalonic acid and sodium [1, 2-13C]acetate in tissue cultures of Isodon japonicus hara
Shujiro Seo, Yutaka Tomita and Kazuo Tori
Structure      13C NMR   碳谱模拟图
5 .     4-{[(3α,5β,7α,12α)-7,12-bis(formyloxy)-24-oxo-24-[(3β,22E)-stigmasta-5,22-dien-3-yloxy]cholan-3-yl]oxy}-4-oxobutanoic acid
C59H90O10     相似度:66.1%
Bioorganic & Medicinal Chemistry          2010          18          8194-8203
Steroid conjugates: Synthesis and preliminary biological testing of pro-juvenoids
Hana Svobodová, Hana Ryšavá, Milan Pavlík, David Šaman, Pavel Drašar, Zdeněk Wimmer
Structure      13C NMR   碳谱模拟图
6 .     compound 11
C71H110N10O9     相似度:65.6%
Tetrahedron          2014          70          3297-3305
The CuI-catalyzed alkyne–azide cycloaddition as direct conjugation/cyclization method of peptides to steroids
Radell Echemendía, Odette Concepción, Fidel E. Morales, Márcio W. Paixão, Daniel G. Rivera
Structure      13C NMR   碳谱模拟图
7 .     CsA
    相似度:64.5%
Journal of the American Chemical Society          1992          114          2676-2686
Novel backbone conformation of cyclosporin A: the complex with lithium chloride
Matthias Koeck, Horst Kessler, Dieter Seebach, Adrian Thaler
Structure      13C NMR   碳谱模拟图
8 .     (+/-)-3α,7α,12α-Tris(3-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl}propanoyloxy)-5β-cholan-24-oic aci
C123H196O17     相似度:64.5%
Steroids          2013          78          435-453
New propanoyloxy derivatives of 5β-cholan-24-oic acid as drug absorption modifiers
Lenka Coufalová, Lech Mrózek, Lucie Rárová, Lukáš Plaček, Radka Opatřilová, Jiří Dohnal, Katarína Král’ová, Oldřich Paleta, Vladimír Král, Pavel Drašar, Josef Jampílek
Structure      13C NMR   碳谱模拟图
9 .     Cyclosporine I
    相似度:64.5%
Helvetica Chimica Acta          1982          65          1655-1677
Isolierung und Strukturermittlung der neuen Cyclosporine E, F, G, H und I
René Traber, Hans-Rudolf Loosli, Hans Hofmann, Max Kuhn and Albert Von Wartburg
Structure      13C NMR   碳谱模拟图
10 .     Cyclosporin I
    相似度:64.5%
Helvetica Chimica Acta          1987          70          13-36
Neue Cyclosporine aus Tolypocladium inflatum. Die Cyclosporine K–Z
René Traber, Hans Hofmann, Hans-Rudolf Loosli, Monique Ponelle and Albert von Wartburg
Structure      13C NMR   碳谱模拟图
11 .     Cyclosporin N
    相似度:64.5%
Helvetica Chimica Acta          1987          70          13-36
Neue Cyclosporine aus Tolypocladium inflatum. Die Cyclosporine K–Z
René Traber, Hans Hofmann, Hans-Rudolf Loosli, Monique Ponelle and Albert von Wartburg
Structure      13C NMR   碳谱模拟图
12 .     Cyclosporin T
    相似度:64.5%
Helvetica Chimica Acta          1987          70          13-36
Neue Cyclosporine aus Tolypocladium inflatum. Die Cyclosporine K–Z
René Traber, Hans Hofmann, Hans-Rudolf Loosli, Monique Ponelle and Albert von Wartburg
Structure      13C NMR   碳谱模拟图
13 .     Cyclosporin X
    相似度:64.5%
Helvetica Chimica Acta          1987          70          13-36
Neue Cyclosporine aus Tolypocladium inflatum. Die Cyclosporine K–Z
René Traber, Hans Hofmann, Hans-Rudolf Loosli, Monique Ponelle and Albert von Wartburg
Structure      13C NMR   碳谱模拟图
14 .     compound 9
C62H92N10O10     相似度:64.5%
Tetrahedron          2014          70          3297-3305
The CuI-catalyzed alkyne–azide cycloaddition as direct conjugation/cyclization method of peptides to steroids
Radell Echemendía, Odette Concepción, Fidel E. Morales, Márcio W. Paixão, Daniel G. Rivera
Structure      13C NMR   碳谱模拟图
15 .     sitosterol
    相似度:62.9%
Chemical Communications          1986                   1139-1140
Biosynthesis of Sitosterol in Tissue Cultures of Rabdosia japonica Hara and Ergosterol in Yeast from [2-13C, 2-2H3]Acetate
Shujiro Seo, * Ushio Sankawa, Haruo Seto, Atsuko Uomori, Yohko Yoshimura, Yutaka Ebizuka, Hiroshi Noguchi, and Ken'ichi Takeda
Structure      13C NMR   碳谱模拟图
16 .     compound 15
C87H151Cl3N6O17S3     相似度:62.9%
Molecules          2011          16          1508-1518
Polycationic Glycosides
Robert Engel, Ishrat Ghani, Diego Montenegro, Marie Thomas, Barbara Klaritch-Vrana, Alejandra Castaño, Laura Friedman, Jay Leb, Leah Rothman, Heidi Lee, et al.
Structure      13C NMR   碳谱模拟图
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Domyallbesttohaveahappylife.
3楼2014-11-17 11:55:45
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
po9lkmnb: 金币+10, ★有帮助 2014-11-17 11:56:53
查询结果：共查到239个化合物(查询结果仅供参考)
1 .     Benzyl (+/-)-7α,12α-dihydroxy-3α-(3-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl}propanoyloxy)-5β-cholan-24-oate
    相似度:71.8%
Steroids          2013          78          435-453
New propanoyloxy derivatives of 5β-cholan-24-oic acid as drug absorption modifiers
Lenka Coufalová, Lech Mrózek, Lucie Rárová, Lukáš Plaček, Radka Opatřilová, Jiří Dohnal, Katarína Král’ová, Oldřich Paleta, Vladimír Král, Pavel Drašar, Josef Jampílek
Structure      13C NMR   碳谱模拟图
2 .     Benzyl (+/-)-3α,7α,12α-tris(3-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl}propanoyloxy)-5β-cholan-24-oate
    相似度:67.7%
Steroids          2013          78          435-453
New propanoyloxy derivatives of 5β-cholan-24-oic acid as drug absorption modifiers
Lenka Coufalová, Lech Mrózek, Lucie Rárová, Lukáš Plaček, Radka Opatřilová, Jiří Dohnal, Katarína Král’ová, Oldřich Paleta, Vladimír Král, Pavel Drašar, Josef Jampílek
Structure      13C NMR   碳谱模拟图
3 .     7β-tert-Butyldimethylsilyloxysitosteryl-9,10-ditert-butyldimethylsilyloxystearate
C65H126O5Si3     相似度:66.1%
Steroids          2008          73          1098-1109
Synthesis of highly pure oxyphytosterols and (oxy)phytosterol esters: Part II. (Oxy)-sitosterol esters derived from oleic acid and from 9,10-dihydroxystearic acid [1]
Diane Julien-David, Philippe Geoffroy, Eric Marchioni, Françis Raul, Dalal Aoudé-Werner, Michel Miesch
Structure      13C NMR   碳谱模拟图
4 .     β-sitosteryl acetate
    相似度:66.1%
Chemical Communications          1978                   319-320
Biosynthesis of β-sitosterol from [4-13C]mevalonic acid and sodium [1, 2-13C]acetate in tissue cultures of Isodon japonicus hara
Shujiro Seo, Yutaka Tomita and Kazuo Tori
Structure      13C NMR   碳谱模拟图
5 .     4-{[(3α,5β,7α,12α)-7,12-bis(formyloxy)-24-oxo-24-[(3β,22E)-stigmasta-5,22-dien-3-yloxy]cholan-3-yl]oxy}-4-oxobutanoic acid
C59H90O10     相似度:66.1%
Bioorganic & Medicinal Chemistry          2010          18          8194-8203
Steroid conjugates: Synthesis and preliminary biological testing of pro-juvenoids
Hana Svobodová, Hana Ryšavá, Milan Pavlík, David Šaman, Pavel Drašar, Zdeněk Wimmer
Structure      13C NMR   碳谱模拟图
6 .     compound 11
C71H110N10O9     相似度:65.6%
Tetrahedron          2014          70          3297-3305
The CuI-catalyzed alkyne–azide cycloaddition as direct conjugation/cyclization method of peptides to steroids
Radell Echemendía, Odette Concepción, Fidel E. Morales, Márcio W. Paixão, Daniel G. Rivera
Structure      13C NMR   碳谱模拟图
7 .     CsA
    相似度:64.5%
Journal of the American Chemical Society          1992          114          2676-2686
Novel backbone conformation of cyclosporin A: the complex with lithium chloride
Matthias Koeck, Horst Kessler, Dieter Seebach, Adrian Thaler
Structure      13C NMR   碳谱模拟图
8 .     (+/-)-3α,7α,12α-Tris(3-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl}propanoyloxy)-5β-cholan-24-oic aci
C123H196O17     相似度:64.5%
Steroids          2013          78          435-453
New propanoyloxy derivatives of 5β-cholan-24-oic acid as drug absorption modifiers
Lenka Coufalová, Lech Mrózek, Lucie Rárová, Lukáš Plaček, Radka Opatřilová, Jiří Dohnal, Katarína Král’ová, Oldřich Paleta, Vladimír Král, Pavel Drašar, Josef Jampílek
Structure      13C NMR   碳谱模拟图
9 .     Cyclosporine I
    相似度:64.5%
Helvetica Chimica Acta          1982          65          1655-1677
Isolierung und Strukturermittlung der neuen Cyclosporine E, F, G, H und I
René Traber, Hans-Rudolf Loosli, Hans Hofmann, Max Kuhn and Albert Von Wartburg
Structure      13C NMR   碳谱模拟图
10 .     Cyclosporin I
    相似度:64.5%
Helvetica Chimica Acta          1987          70          13-36
Neue Cyclosporine aus Tolypocladium inflatum. Die Cyclosporine K–Z
René Traber, Hans Hofmann, Hans-Rudolf Loosli, Monique Ponelle and Albert von Wartburg
Structure      13C NMR   碳谱模拟图
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我有一个梦想，我想当校长
2楼2014-11-17 11:55:26
 已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖
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