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yjl2007

金虫 (正式写手)

[求助] 求助一化合物微谱数据结构

化合物碳谱数据如下,溶剂是氘代氯仿
15.4, 16.2, 16.5, 19.8, 21.2, 24.9, 25.9, 26.1, 26.2, 26.8, 34.2, 34.6, 36.9, 40.4, 42.6, 47.6, 50.0, 50.1, 50.4, 50.5, 55.5, 75.0, 75.1, 125.6, 139.5, 218.2
谢谢
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wangwang1989

至尊木虫 (职业作家)

【答案】应助回帖

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感谢参与,应助指数 +1
yjl2007: 金币+20 2013-06-21 21:54:20
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1577个化合物(查询结果仅供参考)
1 .     20(S)-Hydroxy-25-methoxy-dammar-23-en-3-one
C31H52O3     相似度:83.8%
Journal of Natural Medicines          2011          65          217-223
Seven new dammarane triterpenes from the floral spikes of Betula platyphylla var. japonica
Juan Xiong ,Masatoshi Taniguchi ,Yoshiki Kashiwada ,Takashi Yamagishi ,Yoshihisa Takaishi
Structure      13C NMR   碳谱模拟图
2 .     cabralealactone
    相似度:77.7%
Phytochemistry          1987          26          315-316
Deacetoxybrachycarpone,a trinortriterpenoid from Cleome brachycarpa
Viqar Uddin Ahmad,Khisal Ahmad Alvi
Structure      13C NMR   碳谱模拟图
3 .     20(S)-hydroxy-dammar-24-en-3-one
    相似度:76.6%
Chemistry of Natural Compounds          1980          16          258-261
A NEW TRITERPENE FROM THE LEAVES OF Betula mandsohurica
G. V, Malinovskaya, V. L. Novikov, V. A. Denisenko, and N. I, Uvarova
Structure      13C NMR   碳谱模拟图
4 .     dammarenone II
    相似度:76.6%
Phytochemistry          1985          24          2359-2367
Triterpenoids from Mangifera indica
V. Anjaneyulu, K. Harischandra Prasad, K. Ravi, J.D. Connolly
Structure      13C NMR   碳谱模拟图
5 .     20-羟基达玛-24-烯酮
    相似度:76.6%
Chinese Traditional and Herbal Drugs          2006          37          1780-1781
连钱草中三萜类化学成分
张前军;杨小生;朱海燕;姚云;郝小江;宋宝安
Structure      13C NMR   碳谱模拟图
6 .     hydroxydammarenone-Ⅱ
C30H50O2     相似度:76.6%
Chinese Journal of Natural Medicines          2010          8          270-273
Chemical Constituents from the Roots of Dysoxylum densiflorum
LI Chang-Song; YU Hong-Wei; LI Guo-You; ZHANG Guo-Lin
Structure      13C NMR   碳谱模拟图
7 .     (20S)-20-hydroxydammar-24-en-3-one
    相似度:76.6%
Phytochemistry Letters          2011          4          38-42
2-Acety-1-(3-glycosyloxyoctadecanoyl)glycerol and dammarane triterpenes in the exudates from glandular trichome-like secretory organs on the stipules and leaves of Cerasus yedoensis
Teigo Asai, Yoshinori Fujimoto
Structure      13C NMR   碳谱模拟图
8 .     27-Demethyl-20(S)-dammar-23-ene-20-ol-3,25-dione
C29H46O3     相似度:75.8%
Chemical & Pharmaceutical Bulletin          2012          60          955-961
Cytotoxic Terpenes from the Stems of Dipterocarpus obtusifolius Collected in Cambodia
Piseth Khiev, Ok-Kyoung Kwon, Hyuk-Hwan Song, Sei-Ryang Oh, Kyung-Seop Ahn, Hyeong-Kyu Lee, Young-Won Chin
Structure      13C NMR   碳谱模拟图
9 .     cabralealactone
    相似度:74.0%
Phytochemistry          1997          44          1115-1119
Cytotoxic triterpenes from Cleome africana
Hidekazu Nagaya, Yoneko Tobita, Toshiki Nagae, Hideji Itokawa, Koichi Takeya, Ahmed F. Halim, Osama B. Abdel-Halim
Structure      13C NMR   碳谱模拟图
10 .     Cabralealactone
    相似度:74.0%
Archives of Pharmacal Research          2008          31          21-27
A new sesquiterpene and other terpenoid constituents of Chisocheton penduliflorus
Jarinporn Phongmaykin, Takuya Kumamoto, Tsutomu Ishikawa, Rutt Suttisri and Ekarin Saifah
Structure      13C NMR   碳谱模拟图
11 .     cabralealactone
    相似度:74.0%
China Journal of Chinese Materia Medica          2012          37          1237-1240
Chemical constituents from stems of Dysoxylum laxiracemosum
TANG Ting; ZUO Laifu; NA Zhi; XU Youkai
Structure      13C NMR   碳谱模拟图
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