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马轩pacino

银虫 (小有名气)

[求助] 微谱求助 已有3人参与

溶剂:氘带氯仿
C-NMR: 14.53,19.49,25.05,30.03,29.81,32.27,35.26,36.18,37.97,43.89,44.98,46.59,47.82,48.31,48.37,52.60,61.09,69.77,93.55,101.84,109.40,128.21,143.14,200.93
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cjpballack

铁杆木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
查询结果:共查到106个化合物(查询结果仅供参考)  
--------------------------------------------------------------------------------

1 .     phanginin G
C21H28O5     相似度:66.6%
Phytochemistry          2008          69          1242-1249
Phanginin A–K, diterpenoids from the seeds of Caesalpinia sappan Linn.
Orapun Yodsaoue,Sarot Cheenpracha, Chatchanok Karalai, Chanita Ponglimanont,Suchada Chantrapromma, Hoong-Kun Fun,Akkharawit Kanjana-Opas
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

2 .     phanginin G
C21H28O5     相似度:66.6%
Chinese Journal of Natural Medicines          2012          10          218-221
Two new cassane diterpenoids from the seeds of Caesalpinia sappan Linn.
Jing-Yu ZHANG, Fei-Hua WU, Wei QU, Jing-Yu LIANG
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

3 .     phanginin P
C21H28O5     相似度:66.6%
Phytochemistry Letters          2014          8          141-144
Three new cassane diterpenes from the seeds of Caesalpinia sappan
Guo-Xu Ma, Yin-Di Zhu, Zhong-Hao Sun, Jing-Quan Yuan, Yong Xie, Xiao-Po Zhang, Yu Tian, Jun-Shan Yang, Hai-Feng Wu, Xu-Dong Xu
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

4 .     phanginin H
C21H28O4     相似度:62.5%
Phytochemistry          2008          69          1242-1249
Phanginin A–K, diterpenoids from the seeds of Caesalpinia sappan Linn.
Orapun Yodsaoue,Sarot Cheenpracha, Chatchanok Karalai, Chanita Ponglimanont,Suchada Chantrapromma, Hoong-Kun Fun,Akkharawit Kanjana-Opas
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

5 .     3β-methylandrost-5-en-7,17-dione
C20H28O2     相似度:54.1%
Steroids          2010          75          859-869
Stereoselective synthesis of some methyl-substituted steroid hormones and their in vitro cytotoxic activity against human gastric cancer cell line MGC-803
Chun Li, Wenwei Qiu, Zhengfeng Yang, Jian Luo, Fan Yang, Mingyao Liu, Juan Xie, Jie Tang
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

6 .     kirinine B
C22H31NO3     相似度:54.1%
Phytochemistry          1998          49          2557-2559
Diterpene alkaloids from Aconitum kirinense
Feng Feng, Jing-Han Liu, Shou-Xun Zhao
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

7 .     3β,7β-dihydroxyandrost-5-en-17-one
    相似度:54.1%
Phytochemistry          1998          49          2355-2358
The hydroxylation of Δ5-androstenes by Cephalosporium aphidicola
Caroline M. Bensasson, James R. Hanson, A. Christy Hunter
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

8 .     Dehydrocardiopetaline
    相似度:54.1%
Phytochemistry          1993          34          553-558
Three diterpenoid alkaloids from Delphinium cossonianum
Gabriel de la Fuente, Jose A. Gavin, Rafael D. Acosta, Francisco Sanchez-Ferrando
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

9 .     20α-Acetylamino-11α-hydroxy-5α-pregnan-3-on
    相似度:54.1%
Steroids          1998          63          484-495
Microbial hydroxylation of acetylaminosteroids
HerbertL Holland, Gingipalli Lakshmaiah, PeterL Ruddock
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
--------------------------------------------------------------------------------

10 .     phanginin M
C21H24O6     相似度:54.1%
Chinese Journal of Natural Medicines          2012          10          218-221
Two new cassane diterpenoids from the seeds of Caesalpinia sappan Linn.
Jing-Yu ZHANG, Fei-Hua WU, Wei QU, Jing-Yu LIANG
Structure      13C NMR    Structure & 13C NMR     碳谱模拟图
但行好事,莫问前程
6楼2014-06-02 19:14:47
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查看全部 6 个回答

笑多会怀孕

铁杆木虫 (著名写手)

【答案】应助回帖

感谢参与,应助指数 +1
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37个化合物(查询结果仅供参考)
1 .     ethyl (2E)-7-methyl-2,6-octadienoate
C11H18O2     相似度:63.6%
Bioorganic & Medicinal Chemistry          2010          18          5795-5806
Efficient synthesis and biological evaluation of demethyl geranylgeranoic acid derivatives
Akimori Wada, Fei Wang, Yoshitomo Suhara, Yumiko Yamano, Takashi Okitsu, Kimie Nakagawa, Toshio Okano
Structure      13C NMR   碳谱模拟图
2 .     compound 5a
    相似度:54.5%
Journal of Natural Products          2004          67          1029-1031
Enantioselective Synthesis of (−-Dendroprimine and Isomers
Axelle De Saboulin Bollena, Yvonne Gelas-Mialhe, Jean-Claude Gramain, Anne Perret, and Roland Remuson
Structure      13C NMR   碳谱模拟图
3 .     fuscoatramide
C10H17O4N     相似度:54.5%
Journal of Natural Products          2002          65          1734-1737
Bioactive Natural Products from a Sclerotium-Colonizing Isolate of Humicola fuscoatra
Biren K. Joshi,James B. Gloer, and Donald T. Wicklow
Structure      13C NMR   碳谱模拟图
4 .     5-(di-tert-Butylfluorosilyl)-2,3-dimethoxybenzoic acid
C17H27O4FSi     相似度:54.5%
Molecules          2011          16          7458-7479
t-Bu2SiF-Derivatized D2-Receptor Ligands:The First SiFA-Containing Small Molecule Radiotracers for Target-Specific PET-Imaging
Ljuba Iovkova-Berends, Carmen Wängler, Thomas Zöller, Georg Höfner, Klaus Theodor Wanner, Christian Rensch, Peter Bartenstein, Alexey Kostikov, Ralf Schirrmacher, Klaus Jurkschat and Björn Wängler
Structure      13C NMR   碳谱模拟图
5 .     2-cyclohexylamino-4-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
    相似度:54.5%
Heterocycles          2010          81          329-347
Cyclization of 5-Cyano-6-cyanoimino-3,4-dihydropyridin-2(1H)-ones with Amines
Núria Mont, Francisco Carrión, José I. Borrell, and Jordi Teixidó
Structure      13C NMR   碳谱模拟图
6 .     Eleutherazine B
C22H36N4O6     相似度:54.5%
Journal of Asian Natural products Research          2010          12          51-55
Two diketopiperazines from Acanthopanax senticosus Harms
Zhi-Feng Li; Nan Xu; Bao-Min Feng; Qi-Hui Zhang; Yue-Hu Pei
Structure      13C NMR   碳谱模拟图
7 .     环(亮-颉)二肽
    相似度:54.5%
Chinese Traditional and Herbal Drugs          2008          39          502-504
红树林真菌泡盛酒曲霉中的环二肽和核苷类成分
高昊;唐金山;洪葵;庄令;张志华;王乃利;姚新生
Structure      13C NMR   碳谱模拟图
8 .     cyclo(L-Leu-L-Val)
    相似度:54.5%
Chinese Journal of Medicinal Chemistry          2010          20          298-303
Secondarymetabolites from marine actinomycete Streptomyces sp. (No. 30701)
ZENG Xue-rong, JIAO Wei-hua, TANG Jin-shan, GAO H ao, HONG Kui, LI Jia, YAO Xin-sheng
Structure      13C NMR   碳谱模拟图
9 .     6α-Chloro-2,2-dimethyl-3α-(pivaloyloxy)methylpenamS,S-dioxide
C13H21O5BSCl     相似度:54.5%
Bioorganic & Medicinal Chemistry          1995          3          95-100
Synthesis and elastase inhibitory activity of 6α-chloro-2,2-dimethyl-3α-(pivaloyloxy)methylpenam sulfone, 6α-chloro-2,2-dimethyl-3-exo-methylenepenam sulfone, benzyl and methyl 6α-substituted penicillanate sulfones
Carlos E. Boschetti, Oreste A. Mascaretti, Julia A. Cricco, Oscar A. Roveri
Structure      13C NMR   碳谱模拟图
10 .     6-Allyl-6-(2-methoxyethyl)-5,6-dihydro-2,4(1H,3H)-pyridinedione
C11H16NO3     相似度:54.5%
European Journal of Organic Chemistry          2012                   334-344
A New Method of Synthesis of 6-Substituted Piperidine-2,4-diones from Homoallylamines
Nikolai Yu. Kuznetsov, Victor I. Maleev, Victor N. Khrustalev, Anna F. Mkrtchyan, Ivan A. Godovikov, Tatyana V. Strelkova and Yuri N. Bubnov
Structure      13C NMR   碳谱模拟图
11 .     (6S)-1-aza-9,9-bis(trifluoromethyl)-8-oxabicyclo[4.3.0]nonane-2,7-dione
C9H7NO3F6     相似度:54.5%
Heterocycles          2003          61          259-269
Hexafluoroacetone as Protecting and Activating Reagent: An Efficient Strategy for Activation of Pyroglutamic Acid and Homologues
Ksenia Pumpor, Christoph Böttcher, Susanna Fehn, and Klaus Burger*
Structure      13C NMR   碳谱模拟图
12 .     cyclo-(Leu-Val)
C11H20O2N2     相似度:54.5%
Natural Product Research and Development          2004          16          383-386
CYCLODIPEPTIDES FROM THE ROOTS OF PANAX NOTOGINSENG
WANG Shuang-ming;TAN Ning-hua *; YANG Ya-bin; HE Min
Structure      13C NMR   碳谱模拟图
13 .     1H-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]-azepin-1-ium trifluoromethanesulfonate
C10H17F3N2O3S     相似度:54.5%
Russian Journal of Organic Chemistry          2010          46          383-388
Trifluoromethanesulfonate, trifluromethylsulfonylimide, and bis(trifluoromethylsulfonyl)imide salts and ionic liquids based on 1,8-diazabicyclo[5.4.0]undec-7-ene and 1,5-diazabicyclo[ 4.3.0]non-5-ene
L. L. Tolstikova, A. V. Bel’skikh and B. A. Shainyan
Structure      13C NMR   碳谱模拟图
14 .     cyclo(L-Leu-L-Val)
C11H20N2O2     相似度:54.5%
Bioorganic & Medicinal Chemistry          2012          20          2002-2009
Cyclic dipeptides exhibit potency for scavenging radicals
Tadashi Furukawa, Takashi Akutagawa, Hitomi Funatani, Toshikazu Uchida, Yoshihiro Hotta, Masatake Niwa, Yoshiaki Takaya
Structure      13C NMR   碳谱模拟图
15 .     2-chloro-5-isopropyl-3-oxocyclohex-1-enyl methyl carbonate
C11H15ClO4     相似度:54.5%
Bulletin of the Korean Chemical Society          2012          33          4150-4154
Efficient and Facile Synthesis of α-Chloroenones Bearing β-Carbonates or β-Carbamates
Krishna Bahadur Somai Magar, Yong Rok Lee
Structure      13C NMR   碳谱模拟图
16 .     compound 11
    相似度:54.5%
Canadian Journal of Chemistry          1977          55          2829-2834
Etude en résonance magnétique nucléaire du 13C des paramètres de substitution de la fonction azide
A. Pancrazi, I. Kaboré, B. Delpech, A. Astier, Q. Khuong-Huu, G. Lukacs
Structure      13C NMR   碳谱模拟图
17 .     compound 14
    相似度:54.5%
Canadian Journal of Chemistry          1977          55          2829-2834
Etude en résonance magnétique nucléaire du 13C des paramètres de substitution de la fonction azide
A. Pancrazi, I. Kaboré, B. Delpech, A. Astier, Q. Khuong-Huu, G. Lukacs
Structure      13C NMR   碳谱模拟图
18 .     (3S,6R)-3-isopropyl-6-(2-methyl propyl)-2,5-piperazine diketone
C11H20N2O2     相似度:54.5%
Chinese Traditional and Herbal Drugs          2014          45          471-475
Piperazine constituents in fruits of Physalis alkekengi var. francheti
SHU Zun-peng, LI Xin-li, XU Bing-qing, WANG Qiu-hong, YANG Bing-you, KUANG Hai-xue
Structure      13C NMR   碳谱模拟图
19 .     Ethyl (Z)-5-(tert-butyldimethylsilyloxy)-2-pentenoate
    相似度:54.5%
Journal of the Brazilian Chemical Society          2001          12          375-385
The Stereochemistry of the Nozaki-Hiyama-Kishi Reaction and the Construction of 10-Membered Lactones. The Enantioselective Total Synthesis of (-)-Decarestrictine D.
Ronaldo A. Pilli and Mauricio M. Victor
Structure      13C NMR   碳谱模拟图
20 .     环-(亮氨酸-缬氨酸)-二肽
    相似度:54.5%
Chinese Journal of Medicinal Chemistry          2012          22          38-43
Chemical constituents from the endophyte Bacillus pumilus derived from Breynia fruticosa
HUO Pei-yuan; CHEN Hua-hong; JIANG Yi; HAN Li; XU Li-hua; HUANG Xue-shi
Structure      13C NMR   碳谱模拟图
21 .     环(L-缬-L-亮)二肽
C11H20O2N2     相似度:54.5%
Chinese Journal of Marine Drugs          2013          32          31-36
仿刺参共附生放线菌Kytococcus sp.中的环二肽成
鄂恒超, 汤华, 刘宝姝, 孙鹏 李玲, 李志勇, 张文
Structure      13C NMR   碳谱模拟图
22 .     compund 10b
    相似度:53.8%
Journal of Heterocyclic Chemistry          2002          39          1049-1054
Fused-ring nitrogen and sulfur heterocycles by a tandem SN2-michael addition reaction
Richard A. Bunce, Sharadsrikar V. Kotturi, Christopher J. Peeples and Elizabeth M. Holt
Structure      13C NMR   碳谱模拟图
23 .     methyl (S)-[6,7-13C2,7-siloxy-18O]-7-(tert-butyldimethylsiloxy)oct-2-enoate
    相似度:53.8%
Tetrahedron          1998          54          15937-15958
Biosynthetic incorporation of advanced precursors into dehydrocurvularin, a polyketide phytotoxin from Alternaria cinerariae
Yaoquan Liu, Zhe Li, John C. Vederas
Structure      13C NMR   碳谱模拟图
24 .     ethyl (±)-(2E)-3-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-2-propenoate
C12H20O3     相似度:50%
Journal of Heterocyclic Chemistry          2002          39          1049-1054
Fused-ring nitrogen and sulfur heterocycles by a tandem SN2-michael addition reaction
Richard A. Bunce, Sharadsrikar V. Kotturi, Christopher J. Peeples and Elizabeth M. Holt
Structure      13C NMR   碳谱模拟图
25 .     ethyl (±)-(2E)-3-[(1R,2S)-2-(iodomethyl)cyclohexyl]-2-propenoate
    相似度:50%
Journal of Heterocyclic Chemistry          2002          39          1049-1054
Fused-ring nitrogen and sulfur heterocycles by a tandem SN2-michael addition reaction
Richard A. Bunce, Sharadsrikar V. Kotturi, Christopher J. Peeples and Elizabeth M. Holt
Structure      13C NMR   碳谱模拟图
26 .     (3R,5R)-(2-bromoethyl)-5-isopropenyl-2,3-dimethylcyclohexene
    相似度:50%
Indian Journal of Chemistry Section B          2005          44B          1430-1436
Enantiospecific synthesis of B-seco-nortaxanes from two molecules of carvone
Srikrishna,A; Kumar,P Praveen; Reddy,T Jagadeeswar
Structure      13C NMR   碳谱模拟图
27 .     (±)-(1SR,3SR)-3-[3-(6-Amino-9H-9-purinyl)-propyl]-2,2-difluorocyclopropyl-methanol [= 9-[3-(3-hydroxymethyl-2,2-difluorocyclopropyl)-propyl]-adenine]
C12H15ON5F2     相似度:50%
Zeitschrift für Naturforschung B          2004          59          77-94
Synthesis of Highly Flexible Difluorinated Cyclopropanoid Nucleoside Analogues
R. Csuk and L. Eversmann
Structure      13C NMR   碳谱模拟图
28 .     2-Cyano-3',4'-dimethoxy-3-(N-methylamino)cinnamic acid N-methylamide
C14H17N3O3     相似度:50%
Zeitschrift für Naturforschung B          2009          64          662-668
Unexpected Sodium Methoxide-catalyzed Rearrangement of 6-Amino-5-aroyl-1,3-dimethyluracils to Form Novel Cinnamoamides
B. Gerig, U. Girreser, C. Näther, and D. Heber
Structure      13C NMR   碳谱模拟图
29 .     (3S)-vinyl 6-acetyl-3-methyl-2-oxo-1,2,3,4-tetrahydrothieno[2,3-b]pyrazine-4-carboxylate
C12H12N2O4S     相似度:50%
Heterocycles          2002          57          97-110
Preparation of Thieno[2,3-b]pyrazines as Bioisosteres for Quinoxaline Derivatives wiht Reverse Transcriptase Inhibition
Thomas Erker* and Karin Trinkl
Structure      13C NMR   碳谱模拟图
30 .     cyclo-(Phe-Val)
C14H18O2N2     相似度:50%
Natural Product Research and Development          2004          16          383-386
CYCLODIPEPTIDES FROM THE ROOTS OF PANAX NOTOGINSENG
WANG Shuang-ming;TAN Ning-hua *; YANG Ya-bin; HE Min
Structure      13C NMR   碳谱模拟图
31 .     (R)-(E)-(+)-ethyl-5-(tert-butyldiphenylsilyloxy)-4-methyl-2-pentenoate
C20H24O3Si     相似度:50%
Tetrahedron          2011          67          9787-9808
Studies culminating in the total synthesis and determination of the absolute configuration of (−-saudin
Robert K. Boeckman Jr., Maria Rico del Rosario Ferreira, Lorna H. Mitchell, Pengcheng Shao, Michael J. Neeb, Yue Fang
Structure      13C NMR   碳谱模拟图
32 .     compound
C15H30O33Si     相似度:50%
The Journal of Antibiotics          2011          64          781-787
Total synthesis and absolute configuration of avenolide, extracellular factor in Streptomyces avermitilis
Miho Uchida, Satoshi Takamatsu, Shiho Arima, Kiyoko T Miyamoto, Shigeru Kitani, Takuya Nihira, Haruo Ikeda and Tohru Nagamitsu
Structure      13C NMR   碳谱模拟图
33 .     (4R,6S)-ethyl 8-(tert-butyldimethylsilyloxy)-4-hydroxy-6-methyloct-2-enoate
C17H34O4Si     相似度:50%
Tetrahedron          2012          68          2471-2480
Alkyl 2-(2-benzothiazolylsulfinyl)acetates as useful synthetic reagents for alkyl 4-hydroxyalk-2-enoates by sulfinyl-Knoevenagel reaction
Zhenjun Du, Toshihiro Kawatani, Kazuhide Kataoka, Rikiya Omatsu, Junzo Nokami
Structure      13C NMR   碳谱模拟图
34 .     (SS)-N-((R)-1-(4-(((tert-butyldimethylsilyl)oxy)methyl)thiazol-2-yl)-4-methyl-1-oxopentan-3-yl)-2-methylpropane-2-sulfinamide
C20H38N2O3S2Si     相似度:50%
Chemistry – An Asian Journal          2013          8          1213-1222
Total Synthesis of Tubulysin U and Its C-4 Epimer
Xiu-dong Yang, Chang-ming Dong, Jian Chen, Ya-hui Ding, Qi Liu, Xiao-yan Ma, Dr. Quan Zhang and Prof. Yue Chen
Structure      13C NMR   碳谱模拟图
35 .     ethyl (R,Z)-5-(tert-butyldimethylsilyloxy)hex-2-enoate
C14H28O3Si     相似度:50%
Tetrahedron          2014          70          1199-1206
Synthesis of highly substituted pyranonaphthalene spiroketals related to the griseusins using a Hauser–Kraus annulation strategy
Briar J. Naysmith, Daniel Furkert, Margaret A. Brimble
Structure      13C NMR   碳谱模拟图
36 .     pestalotiopamide B
    相似度:50%
Journal of Asian Natural Products Research          2011          13          373-376
Pestalotiopamide E, a new amide from the endophytic fungus Pestalotiopsis sp.
Jing Xu; Qiang Lin; Bin Wang; Victor Wray; Wen-Han Lin; Peter Proksch
Structure      13C NMR   碳谱模拟图
37 .     compound 11
    相似度:50%
Magnetic Resonance in Chemistry          1996          34          660-666
13C NMR and 1H NMR Study of Substituted Tricyclic [2+2] Photoadducts
Gordon L. Lange and Christine Gottardo
Structure      13C NMR   碳谱模拟图
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2楼2014-06-02 15:19:02
已阅   回复此楼   关注TA 给TA发消息 送TA红花 TA的回帖

马轩pacino

银虫 (小有名气)

引用回帖:
2楼: Originally posted by 笑多会怀孕 at 2014-06-02 15:19:02
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 ...

????啥东西?
3楼2014-06-02 15:46:13
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马轩pacino

银虫 (小有名气)

引用回帖:
2楼: Originally posted by 笑多会怀孕 at 2014-06-02 15:19:02
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 ...

你查的数据和我的不同啊
4楼2014-06-02 15:46:57
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