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恍然穿行

新虫 (小有名气)

[求助] C谱求解

氘代甲醇打的谱,分子量是368或者384,不确定是哪一个。C谱数据如下:181.8431;168.8732;157.8126;142.7423;131.0953;131.0135;125.2991;124.6240;112.0768;108.6127;79.8497;74.0330;68.6527;63.3611;56.6511;51.7481;38.4986;33.7389;32.3137;25.0854;18.4982
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lhwppkk

金虫 (正式写手)

【答案】应助回帖

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恍然穿行: 金币+5, 不是,但是还是谢谢了 2013-09-10 13:46:25
恍然穿行: 金币+5, 有帮助 2013-10-17 20:26:39
查询结果:共查到17个化合物(查询结果仅供参考)
1 .     2-carbomethoxy-3-prenyl-1,4-naphthohydroquinone 4-O-β-D-apioside
    相似度:54.5%
Phytochemistry          1991          30          637-640
Anthraquinones, naphthoquinones and naphthohydroquinones from Rubia oncotricha
Hideji Itokawa, Yafang Qiao, Koichi Takeya
Structure      13C NMR   碳谱模拟图
2 .     Compound 4
    相似度:54.5%
Bioorganic & Medicinal Chemistry Letters          2000          10          2529-2532
Bisquaternary caracurine V derivatives as allosteric modulators of ligand binding to M2 acetylcholine receptors
D. P. Zlotos, S. Buller, C. Tränkle, K. Mohr
Structure      13C NMR   碳谱模拟图
3 .     6-(2,5-Dimethoxy-4-(2-[N,N-phthalimido]propyl)phenyl)hexanol
    相似度:52.3%
Molecules          2002          7          777-790
A Synthesis of 6-(2, 5-Dimethoxy-4-(2-aminopropyl)phenyl)-hexylthiol. A Ligand for Conjugation with Fluorescent Cadmium Selenide/Zinc Sulfide Core/Shell Nanocrystals and Biological Imaging
Ian D. Tomlinson, Jesse L. Grey and Sandra J. Rosenthal
Structure      13C NMR   碳谱模拟图
4 .     compound 14
    相似度:52.3%
Phytochemistry          1996          41          217-223
Biologically active flavonoids and terpenoids from Egletes viscosa
Mary Anne S. Lima, Edilberto R. Silveira, Maria Silvania L. Marques, Regina Helena A. Santos, Maria Teresa P. Gambardela
Structure      13C NMR   碳谱模拟图
5 .     Methyl 15S-Hydroxy-7S-methoxy-2-methyl-2E,4E,10E-hexadecatrienoate
C19H32O4     相似度:52.3%
Journal of Natural Products          2001          64          472-479
Synthesis of (7S,15S)- and (7R,15S)-Dolatrienoic Acid
Jonathan J. Duffield and George R. Pettit
Structure      13C NMR   碳谱模拟图
6 .     Methyl 15S-Hydroxy-7R-methoxy-2-methyl-2E,4E,10E-hexadecatrienoate
C19H32O4     相似度:52.3%
Journal of Natural Products          2001          64          472-479
Synthesis of (7S,15S)- and (7R,15S)-Dolatrienoic Acid
Jonathan J. Duffield and George R. Pettit
Structure      13C NMR   碳谱模拟图
7 .     compound 22b
C25H42O3Si     相似度:52.3%
Heterocycles          2009          78          2295-2314
Trisubstituted Double Bond in the Cyclooctene Ring. Preparation Using the RCM Reaction
Reiko Mizutani, Takuo Miki, Katsuyuki Nakashima, Masakazu Sono, and Motoo Tori
Structure      13C NMR   碳谱模拟图
8 .     compound 8
C21H30O3     相似度:52.3%
Phytochemistry          1979          18          1067-1068
Eine neue diterpensaure aus Centipeda orbicularis
K. -H. Kubeczka
Structure      13C NMR   碳谱模拟图
9 .     teumassilin
C20H30O5     相似度:52.3%
Phytochemistry          1984          23          849-852
Neo-clerodane diterpenoids from Teucrium massiliense
Giuseppe Savona, Maurizio Bruno, Franco Piozzi, Orietta Servettaz, Benjamín Rodríguez
Structure      13C NMR   碳谱模拟图
10 .     12(S)-15,16-epoxy-13(16),14-labdaiene-8,12-diol
C20H30O2     相似度:52.3%
Acta Chemica Scandinavica          1978          32          203-215
Tobacco Chemistry. 50. (3S,5R,8S,9xi)-5,8-Epoxy-6-megastigmene-3,9-diol and (3S*,5R*,6R*,7E,9xi)-3,6-Epoxy-7-megastigmene-5,9-diol. Two New Nor-carotenoids of Greek Tobacco.
Behr, Dan; Wahlberg, Inger; Nishida, Toshiaki; Enzell, Curt R.
Structure      13C NMR   碳谱模拟图
11 .     compound 2c''
    相似度:52.3%
Journal of Agricultural and Food Chemistry          2005          53          8296-8301
Novel Inhibitors of the Mitochondrial Respiratory Chain: Oximes and Pyrrolines Isolated from Penicillium brevicompactum and Synthetic Analogues
ángel Cantín, M. Pilar López-Gresa, M. Carmen González, Pilar Moya, Miguel ángel Miranda, Jaime Primo, Vanessa Romero, Eva Peris, and Ernesto Estornell
Structure      13C NMR   碳谱模拟图
12 .     gancaonin Z
C21H24O4     相似度:52.3%
Natural Medicines          1994          48          203-207
Phenolic Constituents of Glycyrrhiza Species. 17 : Three Isoprenoid-Substituted Isoflavans, Gancaonins X-Z, from Chinese Folk Medicine "Tiexin Gancao" (Root Xylems of Glycyrrhiza Species)
FUKAI TOSHIO,WANG YING-HUA,NISHIZAWA JUNKO,XING SHIN-RUI,NOMURA TARO
Structure      13C NMR   碳谱模拟图
13 .     1β-acetoxy-7,12-dihydroxy-15,16-epoxy-cis-cleroda-3,13(16),14-triene-18,6-olide
C22H28O7     相似度:50%
Phytochemistry          1998          48          681-685
Clerodane-type diterpenoids from axenic cultures of the liverwort Jamesoniella autumnalis
Hiroyuki Tazaki, Kensuke Nabetα, Hans Becker
Structure      13C NMR   碳谱模拟图
14 .     1β-acetoxy-7,12-dihydroxy-15,16-epoxy-cis-cleroda-3,13(16),14-triene-18,6-olide
C22H28O7     相似度:50%
Phytochemistry          1998          48          681-685
Clerodane-type diterpenoids from axenic cultures of the liverwort Jamesoniella autumnalis
Hiroyuki Tazaki, Kensuke Nabeta, Hans Becker
Structure      13C NMR   碳谱模拟图
15 .     N1-Methoxycarbonyl-12-methoxy-Δ(16,17)-kopsinine
C24H28N2O5     相似度:50%
Phytochemistry          1995          39          469-471
Dehydropleiocarpine alkaloids from Kopsia profunda
Toh-Seok Kam, Poh-Suan Tan
Structure      13C NMR   碳谱模拟图
16 .     N-methoxycarbonyl-12-methoxy-△16,17-kopsinine
C24H28N2O5     相似度:50%
Phytochemistry          1990          29          2321-2322
Plumeran alkaloids from Kopsia profunda
Toh-Seok Kam,Poh-Suan Tan
Structure      13C NMR   碳谱模拟图
17 .     Aquilarabietic acid J
C22H34O3     相似度:50%
Journal of Natural Products          2013          76          216-222
Antidepressant Abietane Diterpenoids from Chinese Eaglewood
Lin Yang, Lirui Qiao, Chengxue Ji, Dan Xie, Ning-Bo Gong, Yang Lu, Jianjun Zhang, Jungui Dai, and Shunxing Guo
Structure      13C NMR   碳谱模拟图
6楼2013-09-10 11:55:47
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查看全部 6 个回答

天下无双ts

木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
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
修改一下数据 帮你微谱看看
2楼2013-09-10 08:25:31
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恍然穿行

新虫 (小有名气)

引用回帖:
2楼: Originally posted by 天下无双ts at 2013-09-10 08:25:31
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
修改一下数据 帮你微谱看看

18.4982,25.0854,32.3137,33.7389,38.4986,51.7481,56.6511,63.3611,68.6527,74.0330,79.8497,108.6127,112.0768,124.6240,125.2991,131.0135,131.0953,142.7423,157.8126,168.8732,181.8431
3楼2013-09-10 09:20:59
已阅   关注TA 给TA发消息 送TA红花 TA的回帖

lhwppkk

金虫 (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2个化合物(查询结果仅供参考)
1 .     Compound 4
    相似度:50%
Bioorganic & Medicinal Chemistry Letters          2000          10          2529-2532
Bisquaternary caracurine V derivatives as allosteric modulators of ligand binding to M2 acetylcholine receptors
D. P. Zlotos, S. Buller, C. Tränkle, K. Mohr
Structure      13C NMR   碳谱模拟图
2 .     10-N-Demethyl-10-N-(4'-phthalimidobutyl)-galanthamineN-oxide
C28H30N2O6     相似度:50%
Bioorganic & Medicinal Chemistry          1998          6          1835-1850
Potent acetylcholinesterase inhibitors: design, synthesis, and structure–Activity relationships of bis-interacting ligands in the galanthamine series
Aude Mary, Dolor Zafiarisoa Renko, Catherine Guillou, Claude Thal
Structure      13C NMR   碳谱模拟图
4楼2013-09-10 11:06:01
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