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wantongai

金虫 (初入文坛)

[求助] 根据碳谱推测结构

碳谱数据:13C NMR (500 MHz, CDCl3) δ 135.71, 132.11, 119.73, 116.42, 70.61, 59.66, 55.85, 54.70, 46.38, 42.96, 40.93, 40.59, 39.22, 38.51, 33.23, 32.13, 32.07, 31.38, 29.85, 29.81, 29.51, 28.44, 23.14, 22.84, 21.24, 20.10, 19.79, 17.75, 16.42, 12.20.

求结构
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yaolan123

禁虫 (职业作家)

可以从小到大排列吗
微微一笑
2楼2013-05-06 15:54:11
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wantongai

金虫 (初入文坛)

引用回帖:
2楼: Originally posted by yaolan123 at 2013-05-06 19:54:11
可以从小到大排列吗

从大到小和从小到大有很大的区别吗?
3楼2013-05-06 19:57:12
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wantongai

金虫 (初入文坛)

求大侠帮助~
4楼2013-05-07 10:45:59
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1power1

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5065个化合物(查询结果仅供参考)
1 .     16β-hydroxylanosta-2,8,23-triene
C30H48O     相似度:83.3%
Zeitschrift für Naturforschung C          2002          57          489-495
Microbial Transformation of a Mixture of Argentatin A and Incanilin
Key words: Argentatin A, Incanilin, Biotransformation
Structure      13C NMR   碳谱模拟图
2 .     24(R)-methylcholesta-5,7,22-tiene-3-ol
    相似度:80%
Bulletin of the Korean Chemical Society          2008          29          615-619
Human Acyl-CoA: Cholesterol Acyltransferase (hACAT) Inhibitory Activities of Triterpenoids from Roots of Glycine max (L.) Merr.
Jin Hwan Lee, Young Bae Ryu, Byong Won Lee, Jin Hyo Kim, Woo Song Lee, Yong-Dae Park, Tae-Sook Jeong, Ki Hun Park*
Structure      13C NMR   碳谱模拟图
3 .     Ergosta-5,7,22-trien-3β-ol
    相似度:76.6%
Helvetica Chimica Acta          2004          Vol. 87          1912
Vibratilicin: a Novel Compound from the Basidiomycete Cortinarius vibratilis
Fei Wang, Jian-Wen Tan, and Ji-Kai Liu
Structure      13C NMR   碳谱模拟图
4 .     ergosterol
    相似度:76.6%
Phytochemistry          1997          45          1669-1671
Ergosta-4, 6, 8, 22-tetraen-3-one from the edible fungus, Pleurotus ostreatus (oyster fungus)
Vladimir Chobot, Lubomír Opletal, Ludk Jáhodá, Asmita V. Patel, Christopher G. Dacke, Gerald Blunden
Structure      13C NMR   碳谱模拟图
5 .     ergosterol
C28H44O     相似度:76.6%
Natural Product Sciences          2009          15          173-179
Steroids and Triterpenoid from the Fruit Bodies of Ganoderma lucidum and Their Cytotoxic Activity
Lee, Joon-Seok; Lee, Mi-Kyoung; Hung, Tran-Manh; Lee, Ik-Soo; Min, Byung-Sun; Bae, Ki-Hwan
Structure      13C NMR   碳谱模拟图
6 .     ergosterol
    相似度:76.6%
Phytochemistry          1996          41          1301-1308
Sterol analysis of DMI-resistant and -sensitive strains of Venturia inaequalis
Noboru Shirane, Hideyuki Takenaka, Kazuo Ueda, Yutaka Hashimoto, Kenji Katoh, Hideo Ishii
Structure      13C NMR   碳谱模拟图
7 .     ergosta-5,7,---triene-3β-ol
    相似度:76.6%
Chinese Journal of Marine Drugs          2006          25(1)          6-10
Studies on the chemical constituents of the fermentation liquid from marine actinomyces Micromonos por a sp. and bacteria Ocea nos pi rillum sp.
SHI Ying, TIAN Li, WANG Jing, PEI Yue-hu
Structure      13C NMR   碳谱模拟图
8 .     ergosta-5,7,22-t riene-3β-ol
    相似度:76.6%
Chinese Journal of Marine Drugs          2004          23(1)          14-16
Study on the chemical constituents of the fermentation liquid from marine fungus Aspergillus versicolor
ZHANG Hai-long, MA Li, TIAN Li
Structure      13C NMR   碳谱模拟图
9 .     (3β,22E)-Ergosta-5,7,22-trien-3-ol
    相似度:76.6%
Chemistry of Natural Compounds          2011          Vol. 47, No. 4          541-544
BIOACTIVE METABOLITES FROM Penicillium sp. P-1,A FUNGAL ENDOPHYTE IN Huperzia serrata
You-Min Ying, Zha-Jun Zhan, Zhi-Shan Ding,and Wei-Guang Shan
Structure      13C NMR   碳谱模拟图
10 .     ergosterol derived
    相似度:76.6%
Tetrahedron Letters          2000          41          2791-2795
Stereochemistry of hydrogen introduction at C-25 in ergosterol synthesized by the mevalonate-independent pathway
Wen-xu Zhou, W. David Nes
Structure      13C NMR   碳谱模拟图
11 .     ergosterol
    相似度:76.6%
Phytochemistry          1990          29          2513-2520
Effect on ergosterol biosynthesis of a fungicide,SSF-109,in Botrytis cinerea
Noboru Shirane,Akira Murabayashi,Michio Masuko,Atsuko Uomori,Yohko Yoshimura,Shujiro Seo,Kiyohisa Uchida,Ken'ichi Takeda
Structure      13C NMR   碳谱模拟图
12 .     (22E,24R)-ergosta-5,7,22-trien-3β-ol
C28H44O     相似度:76.6%
Chinese Traditional and Herbal Drugs          2008          39          1776-1778
Chemical constituents of Russula virescens
TANG Jian-guo; SHAO Hong-jun; LIU Ji-kai
Structure      13C NMR   碳谱模拟图
13 .     β-ergosterol
    相似度:76.6%
Chinese Traditional and Herbal Drugs          2000          31          328-330
褐圆孔牛肝菌化学成分的研究
万辉
Structure      13C NMR   碳谱模拟图
14 .     Ergosterol
    相似度:76.6%
Archives of Pharmacal Research          2009          32          1573-1579
Steroids and triterpenes from the fruit bodies of Ganoderma lucidum and their anti-complement activity
Hyo Won Seo, Tran Manh Hung, MinKyun Na, Hyun Ju Jung and Jin Cheol Kim, et al.
Structure      13C NMR   碳谱模拟图
15 .     ergosta-5, 7, 22-trien-3β-ol
C28H44O     相似度:76.6%
Acta Bot. Boreal. -Occident. Sin.          2010          30          601-603
Chemical Constituents in the Fruiting Bodies of Sarcodon scabrosus
MA Bing-ji, SHEN Jin-wen, YU Hai-you, ZHOU Hang, ZHAO Xu, RUAN Yuan, WU Ting-ting
Structure      13C NMR   碳谱模拟图
16 .     ergosta-5,7,22-trien-3β-ol
    相似度:76.6%
Chinese Pharmaceutical Journal          2009          44          418-421
Studies on Chemical Constituents in Forsythia suspensa (Thunb.) Vahl
FENG Wei-sheng, LI Ke-ke, ZHENG Xiao-ke
Structure      13C NMR   碳谱模拟图
17 .     22 E-ergosta-5,7,22-trien-3β-ol
    相似度:76.6%
Chinese Journal of Medicinal Chemistry          2006          16          98-101
The constituents of marine fungus 97F49
ZHANG Qing-hua, WANG Nai-li, GAO Hao, LIU Hong-wei, SONG Shan-shan, MICHIO Namikoshi, YAO Xin-sheng
Structure      13C NMR   碳谱模拟图
18 .     (3β,22E)-麦角甾-5,7,22-三烯-3-醇
C28H44O     相似度:76.6%
Chinese Journal of Medicinal Chemistry          2009          19          200-205
Chemical constituents from the endophytic fungus Acremonium sp. J1 of Antiaris toxicaria
QUE Dong-mei, DAI Hao-fu, ZENG Yan-bo, WU Jiao, MEI Wen-li
Structure      13C NMR   碳谱模拟图
19 .     ergosterol
    相似度:76.6%
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, Ats
5楼2013-05-07 19:29:04
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1power1

木虫 (正式写手)

差别其实很大的。从小到大微谱方便些。
6楼2013-05-07 19:30:03
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luyixiao07

新虫 (初入文坛)

引用回帖:
6楼: Originally posted by 1power1 at 2013-05-07 19:30:03
差别其实很大的。从小到大微谱方便些。

麻烦帮忙看看我的是什么结构,多谢!
(100 MHz, CD3OD)20.05,22.47,25.72,26.46,27.83,31.23,31.44,33.77,56.40,73.59,97.96,109.33,117.79,143.97,159.60,160.89,171.11
7楼2013-11-20 14:52:12
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