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杨大松

至尊木虫 (文坛精英)

[求助] 求助微谱数据,谢谢

碳谱数据如下:
16.4,19.5,20.1,20.3,23.7,24.4,26.5,28.1,28.6,41.1,44.4,48.4,56.3,75.1,80.4
辛苦各位了,非常感谢。
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碧雪清谭
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杨大松

至尊木虫 (文坛精英)

2楼2012-10-06 13:53:04
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wangfei.ac

铁杆木虫 (正式写手)


【答案】应助回帖

应该是二羟基化(或醚化)倍半萜类成分,根据氢谱看看高场区的甲基数与峰形,继而结合生物来源与有关文献应该不难确定其结构。
3楼2012-10-06 15:50:53
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杨大松

至尊木虫 (文坛精英)

送鲜花一朵
恩,这个我知道,也觉得应该是倍半萜,此化合物DEPT谱显示含4个甲基,4个CH2,4个CH,一个季碳。谢了啊,我再看看。
碧雪清谭
4楼2012-10-06 16:36:11
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火箭穿屁屁

木虫 (正式写手)

地球球长

为什么数据格式不对??反复输入都是~~
绳命是入次的井猜
5楼2012-10-07 08:30:38
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杨大松

至尊木虫 (文坛精英)

引用回帖:
5楼: Originally posted by 火箭穿屁屁 at 2012-10-07 08:30:38
为什么数据格式不对??反复输入都是~~

我修改一下再试试啊,谢了。
16.4,19.5,20.1,20.3,23.7,24.4,26.5,28.1,28.6,41.1,44.4,48.4,56.3,75.1,80.4
碧雪清谭
6楼2012-10-07 09:40:48
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火箭穿屁屁

木虫 (正式写手)

地球球长

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
杨大松: 金币+25, ★★★★★最佳答案 2012-10-08 07:55:53
查询结果:共查到561个化合物(查询结果仅供参考)  
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1 .     acomadendrane-4β,10β-diol
C15H26O2     相似度:100%
Chemical & Pharmaceutical Bulletin          2000          48(3)          357-361
The Constituents of the Root and Stem of Aristolochia heterophylla Hemsl
Tian-Shung Wu ,Yu-Yi CHAN ,and Yann-Lii LEU
Structure      13C NMR   碳谱模拟图

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2 .     D-aromadendrane-4β, 10α-diol
C15H26O2     相似度:100%
Acta Botanica Yunnanica          2002          24(1)          129-132
Sesquiterpenoids from Michelia lacei and Their Chemotaxonomic Significance
CHENG Yong-Xian,LEI Mao-Lin,ZHOU Jun
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

3 .     4β,10α-aromadendranediol
C15H26O2     相似度:100%
Chemical & Pharmaceutical Bulletin          1989          37          509-510
Studies on the Sequiterpenoids of Panax ginseng C. A. MEYER. III
Hisakatsu IWABUCHI,Masahiro YOSHIKURA and Wasuke KAMISAKO
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

4 .     4β,10β-Aromadendranediol
    相似度:100%
Journal of Chinese Pharmaceutical Sciences          2009          18          146-150
Chemical constituents isolated from Saruma henryi
Shi-Wen Dong; Ming-Ying Shang; Xuan Wang; Shu-Xiang Zhang; Chen Li; Shao-Qing Cai
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

5 .     4α,7α-Aromodendranediol
C15H26O2     相似度:100%
Journal of Asian Natural Products Research          2003          5          215-221
THE CHEMICAL CONSTITUENTS OF MUNRONIA HENRYI
SHU-HUA QI, DA-GANG WU, YUN-BAO MA and XIAO-DONG LUO
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

6 .     ent-4β10α-dihydroxyaromadendrane
C15H26O2     相似度:100%
Phytochemistry          1994          36          1425-1430
Sesqui- and diterpenoids from Plagiochila species
Fumihiro Nagashima, Hironao Tanaka, Masao Toyota, Toshihiro Hashimoto, Yukiko Kan, Shigeru Takaoka, Motto Tori, Yoshinori Asakawa
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

7 .     compound 13
    相似度:100%
Phytochemistry          1987          26          1059-1063
Sesquiterpene lactones and a sesquiterpene diol from jamaican ambrosia peruviana
Gwendolyn Goldsby,Basil A. Burke
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

8 .     ent-4α,10β-dihydroxyaromaden-drane
    相似度:100%
Chinese Traditional and Herbal Drugs          2007          38          656-659
Chemical constituents from fruits of Vitex trifolia
GU Qiong; ZHANG Xue-mei; JIANG Zhi-yong; CHEN Ji-jun; ZHOU Jun
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

9 .     4β,7α-aromadendranedio
    相似度:100%
Chinese Traditional and Herbal Drugs          2001          32          778-780
Studies on chemical constituents of Cipadessa baccifera
LUO Xiao dong; WU Shao hua; MA Yun bao; WU Da gang
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

10 .     4β,10α-aromadendranediol
    相似度:100%
Chinese Journal of Natural Medicines          2003          1          193-195
Studies on the Chemical Constituents of the Soft Coral Sinularia sp
JIA Rui; GUO Yue-Wei; HOU Hui-Xin; Mollo Ernes to; Cimino Guido
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

11 .     4β,10α-aromadendranediol
C15H26O2     相似度:100%
Tetrahedron          1995          51          10997-11010
Terpenoid and steroid constituents of the Indian ocean soft coral Sinularia maxima
Ammanamanchi S.R. Anjaneyulu, Kadali S. Sagar, Mukku J.R.V. Venugopal
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

12 .     (-)-4β,7α-aromadendranediol
    相似度:100%
Journal of the Chinese Chemical Society          2000          47          1291-1293
Sesquiterpenes from Ligularia fischeri
Wen-Shu Wang, Qi-Xiu Zhu,Kun Gao and Zhong-Jian Jia*
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

13 .     4α,10β-aromadendranediol
    相似度:100%
Journal of Chemical Research          2007          31          310-312
Two new sesquiterpenoids from Doellingeria scaber
Bai, Suping; Xingke,; Lu, Guangzhou; Yan, Fulin
Structure      13C NMR   碳谱模拟图

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14 .     syriacine
C15H26O2     相似度:100%
Journal of Asian Natural Products Research          2012          14          618-625
New terpenes from Salvia palaestina Benth. and Salvia syriaca L. growing wild in Jordan
Hala I. Al-Jaber, Khadeja K. Abrouni, Mahmuod A. Al-Qudah & Musa H. Abu Zarga
Structure      13C NMR   碳谱模拟图

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15 .     (+)-3α,9β-aromaden-dranediol
    相似度:100%
Chinese Journal of Organic Chemistry          2004          24          806-810
Sesquiterpenes from Caragana Intermedia
SUN, Zhi-Hua ZHANG, Su SHI, Jiao HU, Chang-Qi
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

16 .     aromadendrane-4β,10α-diol
    相似度:100%
Journal of the Brazilian Chemical Society          2003          14          828-813
Antifungal Aromadendrane Sesquiterpenoids from the Leaves of Xylopia brasiliensis
Isabel C. Moreira, João Henrique G. Lago, Maria Cláudia M. Young and Nídia F. Roque
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

17 .     compound 10
    相似度:86.6%
Phytochemistry          1987          26          1059-1063
Sesquiterpene lactones and a sesquiterpene diol from jamaican ambrosia peruviana
Gwendolyn Goldsby,Basil A. Burke
Structure      13C NMR   碳谱模拟图

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18 .     4α,10α-aromadendranediol
C15H26O2     相似度:86.6%
Natural Product Research and Development          2005          17          740-745
Chemical Studies on Sesquiterpenes in Soft Coral Lobophytum sp. from the South China Sea
ZHANG Wen; GUO Yue-wei *; MOLLO Ernesto; CIMINO Guido
Structure      13C NMR   碳谱模拟图

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19 .     aromadendrane-4α,10α-diol
    相似度:86.6%
Journal of the Brazilian Chemical Society          2003          14          828-813
Antifungal Aromadendrane Sesquiterpenoids from the Leaves of Xylopia brasiliensis
Isabel C. Moreira, João Henrique G. Lago, Maria Cláudia M. Young and Nídia F. Roque
Structure      13C NMR   碳谱模拟图

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20 .     aromadendrane-4β,10α,15-triol
C15H26O3     相似度:80%
Journal of the Brazilian Chemical Society          2003          14          828-813
Antifungal Aromadendrane Sesquiterpenoids from the Leaves of Xylopia brasiliensis
Isabel C. Moreira, João Henrique G. Lago, Maria Cláudia M. Young and Nídia F. Roque
Structure      13C NMR   碳谱模拟图

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21 .     5-Acetoxy-aromadendrane-4β,10α-diol
    相似度:76.4%
Journal of the Brazilian Chemical Society          2003          14          828-813
Antifungal Aromadendrane Sesquiterpenoids from the Leaves of Xylopia brasiliensis
Isabel C. Moreira, João Henrique G. Lago, Maria Cláudia M. Young and Nídia F. Roque
Structure      13C NMR   碳谱模拟图

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22 .     pipelol A
C15H26O3     相似度:73.3%
Chemical & Pharmaceutical Bulletin          2002          50(10)          1413-1415
New Megastigmane Glycoside and Aromadendrane Derivative from the Aerial Part of Piper elongatum
Chikako MASUOKA,Masateru ONO, Yasuyuki ITO,Masafumi OKAWA,and Toshihiro NOHARA
Structure      13C NMR   碳谱模拟图

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23 .     14-endohydroxyglobulol
C15H26O2     相似度:73.3%
Phytochemistry          1992          31          3749-3755
Microbial oxidation of tricyclic sesquiterpenoids containing a dimethylcyclopropane ring
Wolf-Rainer Abraham, Klaus Kieslich, Burkhard Stumpf, Ludger Ernst
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

24 .     4β,10α,15-trihydroxyaromadrendane
    相似度:73.3%
Chinese Journal of Natural Medicines          2009          7          270-273
Two New Terpenoids from Valeriana officinalis
ZHOU Ying; FANG Ying; GONG Zhan-Feng; DUAN Xue-Yun; LIU Yan-Wen
Structure      13C NMR   碳谱模拟图

--------------------------------------------------------------------------------

25 .     ent-4β-Hydroxy-10α-methoxyaromadendrane
    相似度:68.7%
Phytochemistry          2000          53          845-849
Sesquiterpenoids and diterpenoids from the Chilean liverwort Lepicolea ochroleuca
Huei-Ju Liu, Chia-Li Wu, Hans Becker, Josef Zapp
Structure      13C NMR   碳谱模拟图

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26 .     4-β-hydroxy-10α-methoxyaromadendrane
    相似度:68.7%
Tetrahedron          1997          53          9301-9312
Rare aromadendrane diterpenoids from a new soft coral species of Sinularia genus of the Indian Ocean
Ammanamanchi S.R. Anjaneyulu, Moturu V.R. Krishnamurthy, Gottumukkala V. Rao
Structure      13C NMR   碳谱模拟图

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27 .     4β,10α-aromadendranediol-10-methylether
C16H28O2     相似度:68.7%
Tetrahedron          1995          51          10997-11010
Terpenoid and steroid constituents of the Indian ocean soft coral Sinularia maxima
Ammanamanchi S.R. Anjaneyulu, Kadali S. Sagar, Mukku J.R.V. Venugopal
Structure      13C NMR   碳谱模拟图

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28 .     4α-hydroxy-10β-methoxy-aromadendrane
    相似度:68.7%
Journal of Chemical Research          2007          31          310-312
Two new sesquiterpenoids from Doellingeria scaber
Bai, Suping; Xingke,; Lu, Guangzhou; Yan, Fulin
Structure      13C NMR   碳谱模拟图

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29 .     compound 4
C15H26O3     相似度:66.6%
Journal of Natural Products          2006          69          1411-1416
Cytotoxic Constituents from the Formosan Soft Coral Clavularia inflata var. luzoniana
Shang-Kwei Wang, Min-Jay Huang, and Chang-Yih Duh
Structure      13C NMR   碳谱模拟图

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30 .     comound 4
C14H22O     相似度:66.6%
Journal of Natural Products          2004          67          577-583
New Marine Sesquiterpenoids and Diterpenoids from the Okinawan Soft Coral Clavularia koellikeri
Kazuo Iguchi, Takashi Fukaya, Akiko Yasumoto, and Kinzo Watanabe
Structure      13C NMR   碳谱模拟图

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31 .     patchoulol
    相似度:66.6%
Journal of Natural Products          1999          62          437-440
Biotransformation of the Fungistatic Sesquiterpenoid Patchoulol by Botrytis cinerea
Josefina Aleu, James R. Hanson, Rosario Hernández Galán, and Isidro G. Collado
Structure      13C NMR   碳谱模拟图

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32 .     (9R)-9-hydroxypatchoulol
C15H26O2     相似度:66.6%
Journal of Natural Products          1999          62          437-440
Biotransformation of the Fungistatic Sesquiterpenoid Patchoulol by Botrytis cinerea
Josefina Aleu, James R. Hanson, Rosario Hernández Galán, and Isidro G. Collado
Structure      13C NMR   碳谱模拟图

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33 .     10-aromadendranol
    相似度:66.6%
Planta Medica          1995          61          196-197
Isolation and Identification of 11- Selinen-4α,7β-ol and 10-Aromadendranolin the Essential Oil of Murraya koenigii
I. Waβmuth- Wagner, H.-O. Kalinowski. andH. fork
Structure      13C NMR   碳谱模拟图

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34 .     globulol
C15H26O     相似度:66.6%
Acta Bot. Boreal. -Occident. Sin.          2006          26          2146-2149
Liposoluble Constituents in Eucalyptus globulus Labill. Fruits
TAN MAN-Liang, WANG Ye, ZHOU Li-gang, JIANG Wei-bo
Structure      13C NMR   碳谱模拟图

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35 .     globulol
    相似度:66.6%
Natural Product Research          2008          22          569-575
Antimicrobial activity of globulol isolated from the fruits of Eucalyptus globulus Labill
Manliang Tan; Ligang Zhou; Yongfu Huang; Ye Wang; Xiaojiang Hao; Jingguo Wang
Structure      13C NMR   碳谱模拟图

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36 .     patchoulol
    相似度:66.6%
Phytochemistry          1999          52          635-638
The microbiological hydroxylation of the sesquiterpenoid patchoulol by Mucor plumbeus
Simone Fontes Arantes, James R. Hanson, Peter B. Hitchcock
Structure      13C NMR   碳谱模拟图

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37 .     patchouli alcohol
    相似度:66.6%
Phytochemistry          1995          39          713-714
Sesquiterpenoids from Valeriana fauriei
Koichi Nishiya, Tsuyoshi Tsyjiyama, Takefumi Kimura, Koichi Takeya, Hideji Itokawa, Yoichi Iitaka
Structure      13C NMR   碳谱模拟图

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38 .     patchouli alcohol
    相似度:66.6%
Phytochemistry          1995          39          713-714
Sesquiterpenoids from Valeriana fauriei
Koichi Nishiya, Tsuyoshi Tsyjiyama, Takefumi Kimura, Koichi Takeya, Hideji Itokawa, Yoichi Iitaka
Structure      13C NMR   碳谱模拟图

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39 .     globulol
C15H26O2     相似度:66.6%
Phytochemistry          1994          37          1023-1025
The hydroxylation of globulol and 7-epiglobulol by Cephalosporium aphidicola
James R. Hanson, Peter B. Hitchcock, Revathy Manickavasagar
Structure      13C NMR   碳谱模拟图

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40 .     (-)-globulol
    相似度:66.6%
Phytochemistry          1994          37          1027-1030
Biotransformation of sesquiterpenoids, (−-globulol and (+)-ledol by Glomerella cingulata
Mitsuo Miyazawa, Tomoaki Uemura, Hiromu Kameoka
Structure      13C NMR   碳谱模拟图

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41 .     globulol
    相似度:66.6%
Phytochemistry          1992          31          3749-3755
Microbial oxidation of tricyclic sesquiterpenoids containing a dimethylcyclopropane ring
Wolf-Rainer Abraham, Klaus Kieslich, Burkhard Stumpf, Ludger Ernst
Structure      13C NMR   碳谱模拟图

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42 .     patchouli alcohol
    相似度:66.6%
Korean Journal of Pharmacognosy          1998          29(1)          18-21
Isolation and Quantitative Determination of Patchouli alcohol from Pogostemon cablin Benth.
Kim, Ju-Sun; Chi, Hyung-Joon; Won, Do-Hee; Kang, Sam-Sik
Structure      13C NMR   碳谱模拟图

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43 .     compound 12
    相似度:66.6%
Phytochemistry          1987          26          1059-1063
Sesquiterpene lactones and a sesquiterpene diol from jamaican ambrosia peruviana
Gwendolyn Goldsby,Basil A. Burke
Structure      13C NMR   碳谱模拟图

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44 .     4,7,8-Eudesmatriol
C15H28O3     相似度:66.6%
Natural Product Research          2010          24          687-696
Terpenes and flavonoids from an Egyptian collection of Cleome droserifolia
Mohamed I. Aboushoer; Hoda M. Fathy; Maged S. Abdel-Kader; Gilles Goetz; Abdallah A. Omar
Structure      13C NMR   碳谱模拟图

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45 .     (+)-globulol
C15H26O     相似度:66.6%
Russian Chemical Bulletin          1999          48          600-603
(+)-Globulol as a new sesquiterpene alcohol fromAngelica sylvestris L.
E. Yu. Vinokurova, E. E. Shults, I. Yu. Bagryanskaya, Yu. V. Gatilov and G. A. Tolstikov
Structure      13C NMR   碳谱模拟图

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46 .     (-)-globulol
C15H26O     相似度:66.6%
Russian Chemical Bulletin          1999          48          600-603
(+)-Globulol as a new sesquiterpene alcohol fromAngelica sylvestris L.
E. Yu. Vinokurova, E. E. Shults, I. Yu. Bagryanskaya, Yu. V. Gatilov and G. A. Tolstikov
Structure      13C NMR   碳谱模拟图

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47 .     7α-hydroxyaromadendrane
    相似度:66.6%
Journal of Chemical Research          1997          21          28-29
Hydroxylation of Aromadendrane Derivatives by Mucor plumbeus†
Ricardo Guillermo, James R. Hanson and Almaz Truneh
Structure      13C NMR   碳谱模拟图

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48 .     (-)-globulol
C15H26O     相似度:66.6%
Journal of the Brazilian Chemical Society          1990          1          105-109
Composition of the Essential Oil of Vassoura.
Carmen Lucia Queiroga, Alberto Fukai and Anita J. Marsaioli
Structure      13C NMR   碳谱模拟图

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49 .     (-)-4β,7β-aromadendranediol
C15H26O2     相似度:66.6%
Journal of the Brazilian Chemical Society          1990          1          105-109
Composition of the Essential Oil of Vassoura.
Carmen Lucia Queiroga, Alberto Fukai and Anita J. Marsaioli
Structure      13C NMR   碳谱模拟图

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50 .     Hiiranlactone G
C15H24O2     相似度:66.6%
Phytochemistry          2011          72          415-422
Secondary metabolites from the leaves of Neolitsea hiiranensis and the anti-inflammatory activity of some of them
Bi-Jiuan Liou, Hsun-Shuo Chang, Guei-Jane Wang, Michael Y. Chiang, Chang-Hui Liao, Chu-Hung Lin, Ih-Sheng Chen
Structure      13C NMR   碳谱模拟图

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51 .     aromadendrane-4β,10β-diol
    相似度:66.6%
Journal of the Brazilian Chemical Society          2003          14          828-813
Antifungal Aromadendrane Sesquiterpenoids from the Leaves of Xylopia brasiliensis
Isabel C. Moreira, João Henrique G. Lago, Maria Cláudia M. Young and Nídia F. Roque
Structure      13C NMR   碳谱模拟图

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52 .     16α-hydroxy-(-)-kauran-19-oic acid
C20H32O2     相似度:63.1%
China Journal of Chinese Materia Medica          1989          14          38-40
Studies on the Chemcial Constituents of the Roots of Aralia continetalis Kitag
Wang Guangshu, Shao Chunjie and Xu Jingda
Structure      13C NMR   碳谱模拟图

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53 .     deacetylfawcettiine
    相似度:62.5%
Tetrahedron          2005          61          3681-3690
Lannotinidines A–G, new alkaloids from two species of Lycopodium
Koichiro Koyama, Hiroshi Morita, Yusuke Hirasawa, Miwa Yoshinaga, Tomohiro Hoshino, Yutaro Obara, Norimichi Nakahata, Jun'ichi Kobayashi
Structure      13C NMR   碳谱模拟图

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54 .     (±)-3α-acetoxy-14-oxo-4α,4β,10α-trimethyl-1,2,3,4,5β,6,7,8α,9β,10,11,12,13,14-perhydrophenanthrene
C19H30O3     相似度:61.1%
Tetrahedron          1985          41          5653-5660
Synthesis of oryzalexins a, b and c, the diterpenoidal phytoalexins isolated from rice blast leaves infected with pyricularia oryzae
Kenji Mori, Michiru Waku
Structure      13C NMR   碳谱模拟图
绳命是入次的井猜
7楼2012-10-08 07:47:15
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杨大松

至尊木虫 (文坛精英)

辛苦你了,非常感谢啊。
碧雪清谭
8楼2012-10-08 07:56:19
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