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木豆叶

银虫 (小有名气)

[求助] 微谱求助5 已有1人参与

CDCL3:
13.911,14.279,16.780,17.201,18.990,19.351,19.379,19.704,21.460,22.852,22.880,23.426,25.101,26.751,26.796,
27.217,27.925,27.995,26.751,26.796,27.217,27.925,27.995,28.032,28.075,28.910,29.231,29.367,29.408,29.528,
29.720,29.746,29.889,30.116,30.422,30.777,31.125,32.047,33.350,33.851,34.270,35.429,35.566,36.709,36.759,
37.699,37.836,38.114,38.401,39.116,40.456,42.769,48.311,51.632,52.038,53.682,54.855,57.379,57.428,58.373,
65.755,71.988,80.884,115.010,119.105,120.401,120.522,128.121,129.038,131.092,148.477,149.181,152.337,157.279,171.010
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jiangtao2956

木虫 (正式写手)

GT

【答案】应助回帖

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感谢参与,应助指数 +1
木豆叶: 金币+5, ★★★★★最佳答案 2014-12-04 09:35:08
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16个化合物(查询结果仅供参考)
1 .     (cis)-(3α,5β,7α,12α)-7,12-bis(formyloxy)-24-oxo-24-[(3β,22E)-stigmasta-5,22-dien-3-yloxy]cholan-3-yl-2-{4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl}cyclohexylbutanedioate
    相似度:57.3%
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
2 .     Benzyl 3α-benzyloxycarboxy-7α,12α-bis(3-{[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxycarbonyl}propanoyloxy)-5β-cholan-24-oate
    相似度:56%
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 .     (cis)-(3α,5β,7α,12α)-24-{[2-(4-{2-[(ethoxycar-bonyl)amino]ethoxy}benzyl)cyclohexyl]oxy}-7,12-bis(formyloxy)-24-oxocholan-3-yl-(3β,22E)-stigmasta-5,22-dien-3-yl butanedioate
    相似度:55%
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
4 .     Theonellapeptolide Id
    相似度:54.6%
Tetrahedron          2000          56          9079-9092
New Cyclic Peptides from the Indonesian Sponge Theonella swinhoei
Michael C. Roy, Ikuko I. Ohtani, Toshio Ichiba, Junichi Tanaka, Rachmaniar Satari, Tatsuo Higa
Structure      13C NMR   碳谱模拟图
5 .     Petriellin A
C74H118N12O16     相似度:54.6%
The Journal of Organic Chemistry          1995          60          5384-5385
Petriellin A: A novel antifungal depsipeptide from the coprophilous fungus Petriella sordida
Kit K. Lee, James B. Gloer, James A. Scott, David Malloch
Structure      13C NMR   碳谱模拟图
6 .     (trans)-(3α,5β,7α,12α)-24-{[2-(4-{2-[(ethoxycar-bonyl)amino]ethoxy}benzyl)cyclohexyl]oxy}-7,12-bis(formyloxy)-24-oxocholan-3-yl-(3β,22E)-stigmasta-5,22-dien-3-yl butanedioate
    相似度:54.4%
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
7 .     (trans)-(3α,5β,7α,12α)-7,12-bis(formyloxy)-24-oxo-24-[(3β,22E)-stigmasta-5,22-dien-3-yloxy]cholan-3-yl-2-{4-{2-[(ethoxycarbonyl)amino]ethoxy}benzyl}cyclohexylbutanedioate
    相似度:53.9%
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
8 .     apratoxin E
C43H66N5O7S     相似度:53.8%
Journal of Natural Products          2008          71(6)          1113-1116
Apratoxin E, a Cytotoxic Peptolide from a Guamanian Collection of the Marine Cyanobacterium Lyngbya bouillonii
Susan Matthew, Peter J. Schupp, and Hendrik Luesch
Structure      13C NMR   碳谱模拟图
9 .     cyclo[O-[[[N-[(2S,3S,4S)-4-[(1S,2S)-3-amino-2-methoxy-cyclohexanecarbonyl]oxy]-3-oxo-2,5-dimethylhexanoyl]-L-leucyl]-L-prolyl]-N,O-dimethyl-L-tyrosyl]-L-threonyl] hydrochloride
C42H64N5O11Cl     相似度:53.7%
The Journal of Organic Chemistry          1996          61          1655-1664
Synthetic Routes to a Constrained Ring Analog of Didemnin B
Scott C. Mayer, Amy J. Pfizenmayer, and Madeleine M. Joullié
Structure      13C NMR   碳谱模拟图
10 .     malevamide B
C76H124N12O14     相似度:53.3%
Journal of Natural Products          2000          63          461-467
Malevamides A-C, New Depsipeptides from the Marine Cyanobacterium Symploca laete-viridis
F. David Horgen, Wesley Y. Yoshida, and Paul J. Scheuer
Structure      13C NMR   碳谱模拟图
11 .     Kendarimide A
C83H134N14O15S2     相似度:53.1%
Tetrahedron          2004          60          7053-7059
Kendarimide A, a novel peptide reversing P-glycoprotein-mediated multidrug resistance in tumor cells, from a marine sponge of Haliclona sp.
Shunji Aoki, Liwei Cao, Kouhei Matsui, Rachmaniar Rachmat, Shin-ichi Akiyama, Motomasa Kobayashi
Structure      13C NMR   碳谱模拟图
12 .     iristectorone H
    相似度:52%
Phytochemistry          1994          37          807-815
Iristectorones A-H, spirotriterpene-quinone adducts from Iris tectorum
Katsura Seki, Toshiya Tomihari, Kazuo Haga, Ryohei Kaneko
Structure      13C NMR   碳谱模拟图
13 .     omphalotin I
C76H120N13O20     相似度:52%
European Journal of Organic Chemistry          2009          2009          1256-1262
Omphalotins E–I, Five Oxidatively Modified Nematicidal Cyclopeptides from Omphalotus olearius
Johannes C. Liermann, Till Opatz, Heinz Kolshorn, Luis Antelo, Carolin Hof and Heidrun Anke
Structure      13C NMR   碳谱模拟图
14 .     [5-[4,4,4,4',4',4'-Hexafluoro-N-(2-hydroxyethoxy)-D-valine]]cyclosporin
    相似度:50.6%
Helvetica Chimica Acta          2010          93          1583-1601
Stereoselective Synthesis of [5-[4,4,4,4′,4′,4′-Hexafluoro-N-(2-hydroxyethoxy)-D-valine]]- and [5-[4,4,4,4′,4′,4′-Hexafluoro-N-(2-hydroxyethoxy)-L-valine]cyclosporin A
Marcel K. Eberle and Reinhart Keese
Structure      13C NMR   碳谱模拟图
15 .     3β-hexadecanoyloxy-lup-20(29)-en-21-ol
C46H80O3     相似度:50%
Chemistry of Natural Compounds          2011          Vol. 47, No. 3          404-407
A NEW ACYLATED TRITERPENE WITH ANTIMICROBIAL ACTIVITY FROM THE LEAVES OF Rauvolfia vomitoria
Simone Veronique Fannang, Victor Kuete, Celine Djama Mbazoa, Joseph Itbert Momo, Hanh Trinh Van-Dufat, Francois Tillequin, Elisabeth Seguin, Elizabeth Chosson, and Jean Wandji1*
Structure      13C NMR   碳谱模拟图
16 .     compound
C87H142N3O15P     相似度:50%
Chemistry-A European Journal          2013          19          7989-7998
Total Synthesis of an Immunomodulatory Phosphoglycolipid from Thermophilic Bacteria
Hong-Jyune Lin, Avijit Kumar Adak, L. Vijaya Raghava Reddy, Prof. Shih-Hsiung Wu and Prof. Chun-Cheng Lin
Structure      13C NMR   碳谱模拟图
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