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swaucq

金虫 (正式写手)

[求助] 微谱求助化合物结构

compound1:
12.9,21.1,22.3,24.9,28.9,29.1,29.3,30.0,31.5,32.9,44.3,65.8,65.9,76.3,108.0,171.0,173.4,197.9
compound2:
21.0,51.3,55.5,103.0,107.4,107.7,107.9,109.6,128.2,128.7,147.4,157.4,157.9,162.0,165.8,199.7
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swaucq: 金币+40, ★★★★★最佳答案 2013-03-02 16:11:08
化合物1:

1 .     hexyl-6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopyrrolidin-1-yl)hexanoate
C20H32O5N2     相似度:66.6%
Bioorganic & Medicinal Chemistry          2010          18          73-79
Synthesis, physico-chemical properties and penetration activity of alkyl-6-(2, 5-dioxopyrrolidin-1-yl)-2-(2-oxopyrrolidin-1-yl)hexanoates as potential transdermal penetration enhancers
Katerina Brychtova, Josef Jampilek, Radka Opatrilova, Ivan Raich, Oldrich Farsa, Jozef Csollei
Structure      13C NMR   碳谱模拟图

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2 .     cinatrin C2
C18H30O8     相似度:66.6%
The Journal of Antibiotics          1992          45          38-49
CINATRINS, A NOVEL FAMILY OF PHOSPHOLIPASE A2 INHIBITORS I. TAXONOMY AND FERMENTATION OF THE PRODUCING CULTURE; ISOLATION AND STRUCTURES OF CINATRINS
HIROSHI ITAZAKI, KAZUO NAGASHIMA, YOSHIMI KAWAMURA, KOICHI MATSUMOTO, HIROSHI NAKAI, YOSHIHIRO TERUI
Structure      13C NMR   碳谱模拟图

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3 .     diacetyl xestoaminol A
    相似度:61.1%
Journal of Natural Products          1990          Vol 53          978
Novel Marine Sponge Amino Acids, 10. Xestoaminoh from Xestaspongia sp.
Carlos Jiménez, Phillip Crews
Structure      13C NMR   碳谱模拟图

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4 .     Exocarpic acid
C18H26O2     相似度:61.1%
Phytochemistry          1992          31          3929-3931
Viscumitol, a dimethyl-ether of muco-inositol from Viscum album
Lovina A.C. Naidoo Siegfried E.^Drewes, J.Van Staden, Anne Hutchings
Structure      13C NMR   碳谱模拟图

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5 .     (R)-N-Dodecanoyl-2-aminohexanol
C18H38O2N     相似度:61.1%
Bioorganic & Medicinal Chemistry          1995          3          1397-1403
New phospholipase A2 inhibitor: Synthesis and inhibition mechanism of oxazolidinone phospholipid analog
Seiji Iwama, Takeshi Matsuda, Shigeo Katsumura, Takeshi Tani, Shinobu Fujii, Kiyoshi Ikeda, Hideki Takehara
Structure      13C NMR   碳谱模拟图

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6 .     (2R,3R)-2-Decanoylamino-1-morpholino-4-(E)-nonen-3-ol
C23H44N2O3     相似度:61.1%
Bioorganic & Medicinal Chemistry          1998          6          1481-1489
Synthesis and evaluation of morpholino- and pyrrolidinosphingolipids as inhibitors of glucosylceramide synthase
Tsuyoshi Miura, Tetsuya Kajimoto, Masayuki Jimbo, Kiwamu Yamagishi, Jin-Chi Inokuchi, Chi-Huey Wong
Structure      13C NMR   碳谱模拟图

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7 .     (E)-Hexadec-9-en-11-ynyl acetate
    相似度:61.1%
Tetrahedron          2012          68          654-658
Synthesis of E-vinyl iodides via Pd-catalyzed hydrostannation of terminal alkynes
Alla Darwish, J. Michael Chong
Structure      13C NMR   碳谱模拟图

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8 .     (9E,11Z)-Hexadeca-9,11-dien-1-yl acetate
    相似度:61.1%
Tetrahedron          2012          68          654-658
Synthesis of E-vinyl iodides via Pd-catalyzed hydrostannation of terminal alkynes
Alla Darwish, J. Michael Chong
Structure      13C NMR   碳谱模拟图

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9 .     (R)-1-Ethylicosyl acetate
C24H48O2     相似度:61.1%
Journal of the Chemical Society, Perkin Transactions 1          1999                   513-518
Chemoenzymatic synthesis of (+)-docosa-4,15-dien-1-yn-3-ol, a component of the marine sponge Cribrochalina vasculum, and confirmation of the structure and absolute configuration of the acetylenic alcohol, by lipase-catalysed biotransformations
Kiyoshi Morishita, Makoto Kamezawa, Takehiko Ohtani, Hojun Tachibana, Mayumi Kawase, Midori Kishimoto and Yoshinobu Naoshima
Structure      13C NMR   碳谱模拟图

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10 .     compound (2S,3R)-11
C18H35NO3     相似度:61.1%
Bioscience, Biotechnology, and Biochemistry          2003          67          329-333
Determination of the Absolute Configuration of (+)-Xestoaminol C [(2S, 3R)-2-Amino-3-tetradecanol], a Metabolite of Fiji Sponge, Xestospongia sp., by the Synthesis of Its…
Miwako ICHIHASHI and Kenji MORI
Structure      13C NMR   碳谱模拟图

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11 .     methyl (5R,6S)-5,6-Isopropylideneoxyhexadecanoate
C20H38O4     相似度:61.1%
Heterocycles          2000          53          703-707
A New Synthesis of (-)-(5R,6S)-6-Acetoxy-5-hexadecanolide, the Mosquito Culex pipiens fatigans Oviposition Attractant Pheromone
John K. Gallos,* Demetrios S. Mihelakis, Constantinos C. Dellios, and Minodora E. Pozarentzi
Structure      13C NMR   碳谱模拟图

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12 .     heptyl-6-(2,5-dioxopyrrolidin-1-yl)-2-(2-oxopyrrolidin-1-yl)hexanoate
C21H34O5N2     相似度:61.1%
Bioorganic & Medicinal Chemistry          2010          18          73-79
Synthesis, physico-chemical properties and penetration activity of alkyl-6-(2, 5-dioxopyrrolidin-1-yl)-2-(2-oxopyrrolidin-1-yl)hexanoates as potential transdermal penetration enhancers
Katerina Brychtova, Josef Jampilek, Radka Opatrilova, Ivan Raich, Oldrich Farsa, Jozef Csollei
Structure      13C NMR   碳谱模拟图

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13 .     clavaminol I
C16H31NO3     相似度:61.1%
Tetrahedron          2009          65          4384-4388
Clavaminols G–N, six new marine sphingoids from the Mediterranean ascidian Clavelina phlegraea
Anna Aiello, Ernesto Fattorusso, Antonella Giordano, Marialuisa Menna, Carmen Navarrete, Eduardo Muñoz
Structure      13C NMR   碳谱模拟图

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14 .     diacetyl xestoaminol C
    相似度:61.1%
Tetrahedron          2001          57          4579-4588
Obscuraminols, new unsaturated amino alcohols from the tunicate Pseudodistoma obscurum: structure and absolute configuration
Leda Garrido, Eva Zubı́a, Marı́a J Ortega, Santiago Naranjo, Javier Salvá
Structure      13C NMR   碳谱模拟图

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15 .     (S)-3-(cyclopentanecarbonyl)-4-[(R,E)-1-hydroxynon-2-enyl]oxazolidin-2-one
C18H29NO4     相似度:61.1%
Bioorganic & Medicinal Chemistry          2011          19          6174-6181
3,4-Disubstituted oxazolidin-2-ones as constrained ceramide analogs with anticancer activities
Alok Singh, Hyun-Joon Ha, Jungchan Park, Jun Hee Kim, Won Koo Lee
Structure      13C NMR   碳谱模拟图

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16 .     compound 1b
C18H31NO3S     相似度:61.1%
European Journal of Organic Chemistry          2011                   2719-2729
Total Synthesis of the (+)-Antimycin A Family
Makoto Inai, Takeshi Nishii, Ayako Tanaka, Hiroto Kaku, Mitsuyo Horikawa and Tetsuto Tsunoda
Structure      13C NMR   碳谱模拟图

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17 .     Amyl palmitate
    相似度:61.1%
Natural Product Communications          2007          2          775-778
A Cytotoxic and Hepatoprotective Agent from Withaniasomnifera and Biological evaluation of its Ester Derivatives
Mohit Saxena, Uzma faridi, S.K. Srivastava, M. P. Darokar, Rupal Mishra,Anirban Pal, Brijesh Shisodia and S. P. S. Khanuja
Structure      13C NMR   碳谱模拟图

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18 .     cis-(9S,10S,12R)-12-acetoxy-9,10-methyleneoctadecanoate
    相似度:60%
Russian Journal of Organic Chemistry          2001          37          608-611
Catalytic Cyclopropanation of Ricinolic Acid Derivatives with Diazomethane
A. M. Davletbakova, I. O. Maidanova, N. Z. Baibulatova, V. A. Dokichev and Yu. V. Tomilov, et al.
Structure      13C NMR   碳谱模拟图

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19 .     cinatrin C2 dimethyl ester
    相似度:60%
The Journal of Antibiotics          1992          45          38-49
CINATRINS, A NOVEL FAMILY OF PHOSPHOLIPASE A2 INHIBITORS I. TAXONOMY AND FERMENTATION OF THE PRODUCING CULTURE; ISOLATION AND STRUCTURES OF CINATRINS
HIROSHI ITAZAKI, KAZUO NAGASHIMA, YOSHIMI KAWAMURA, KOICHI MATSUMOTO, HIROSHI NAKAI, YOSHIHIRO TERUI
Structure      13C NMR   碳谱模拟图

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20 .     compound 7b
    相似度:57.8%
Journal of Natural Products          1989          Vol 52          153
Novel Acetylenic Acids from the Root Bark of Paramacrolobium caeruleum: Inhibitors of 3-Hydroxy-3-methyl-glutaryl Coenzyme A Reductase
Ashok D. Patil, James A. Chan, Pearl Lois-Flamberg, Ruth J. Mayer, John W. Westley
Structure      13C NMR   碳谱模拟图

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21 .     Compound 2i
    相似度:57.8%
Magnetic Resonance in Chemistry          2000          38          696-700
NMR spectral data for ester prodrugs of ganciclovir
Hongwu Gao and Ashim K. Mitra
Structure      13C NMR   碳谱模拟图


化合物2:

1 .     sulochrin
C17H16O7     相似度:93.7%
Journal of Natural Products          2002          65          7-10
New Chlorinated Diphenyl Ethers from an Aspergillus Species
Jaih Hargreaves, Ja-on Park, Emilio L. Ghisalberti, Krishnapillai Sivasithamparam, Brian W. Skelton, and Allan H. White
Structure      13C NMR   碳谱模拟图

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2 .     Sulochrin
C17H16O7     相似度:87.5%
Bioscience, Biotechnology, and Biochemistry          2003          67          442-444
Hydroxysulochrin, a Tea Pollen Growth Inhibitor from the Fungus Aureobasidium sp.
Atsumi SHIMADA, Chisako SHIOKAWA, Miyako KUSANO, Shozo FUJIOKA and Yasuo KIMURA
Structure      13C NMR   碳谱模拟图

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3 .     sulochrin
C17H16O7     相似度:87.5%
The Journal of Antibiotics          2002          55          552-556
Fungal Metabolites, Asterric Acid Derivatives Inhibit Vascular Endothelial Growth Factor (VEGF)-induced Tube Formation of HUVECs
HEE JUNG LEE,JEONG HYEONG LEE,BANG YEON HWANG,HANG SUB KIM and JUNG JOON LEE
Structure      13C NMR   碳谱模拟图

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4 .     sulochrin
    相似度:87.5%
The Journal of Antibiotics          1997          50          972-974
Sulochrin Inhibits Eosinophil Degranulation
HIROSHI OHASHI, MASAHARU ISHIKAWA, JUNKO ITO, AKIHIRO UENO, GERALD J. GLEICH, HIROHITO KITA, HIROYUKI KAWAI, HIROMI FUKAMACHI
Structure      13C NMR   碳谱模拟图

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




5 .     methyl 2-(2-formyl-3-hydroxy-5-methylphenoxy)-5-hydroxy-3-methoxybenzoate
C17H16O7     相似度:82.3%
Natural Product Research          2012          26          1224-1228
A new diphenyl ether from Phoma sp. strain, SHZK-2
M.J. Fang, H. Fang, W.J. Li, D.M. Huang, Z. Wu & Y.F. Zhao
Structure      13C NMR   碳谱模拟图

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




6 .     Hydroxysulochrin
C17H16O8     相似度:68.7%
Bioscience, Biotechnology, and Biochemistry          2003          67          442-444
Hydroxysulochrin, a Tea Pollen Growth Inhibitor from the Fungus Aureobasidium sp.
Atsumi SHIMADA, Chisako SHIOKAWA, Miyako KUSANO, Shozo FUJIOKA and Yasuo KIMURA
Structure      13C NMR   碳谱模拟图

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7 .     Sulochrin
C17H16O7     相似度:62.5%
Russian Chemical Bulletin          2011          60          760-763
4-Methoxy-3-methylgoniothalamin from marine-derived fungi of the genus Penicillium
O. F. Smetanina, A. N. Yurchenko, A. I. Kalinovsky, M. A. Pushilin and N. N. Slinkina, et al.
Structure      13C NMR   碳谱模拟图

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8 .     1,2-seco-trypacidin
    相似度:61.1%
Chinese Journal of Natural Medicines          2005          3          269-271
Secondary Metabolites of Aspergillus fumigatus var. fumigatus
LU Chun-Hua; HUANG Yao-Jian; SHEN Yue-Mao
Structure      13C NMR   碳谱模拟图

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9 .     monomethylsulochrin
    相似度:61.1%
The Journal of Antibiotics          2006          59          362-365
A New Diphenyl Ether from Marine-derived Fungus Aspergillus sp. B-F-2 FREE
Rui Liu, Weiming Zhu, Yapeng Zhang, Tianjiao Zhu, Hongbing Liu, Yuchun Fang and Qianqun Gu
Structure      13C NMR   碳谱模拟图

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10 .     lespedezol A1
    相似度:56.2%
Phytochemistry          1999          52          303-310
Antioxidants from Lespedeza homoloba. (I)
Toshio Miyase, Mitsuaki Sano, Haruko Nakai, Miyuki Muraoka, Miho Nakazawa, Masazumi Suzuki, Kyouji Yoshino, Yuichiro Nishihara, Junichi Tanai
Structure      13C NMR   碳谱模拟图

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11 .     compound 4
    相似度:56.2%
Tetrahedron Letters          2000          41          465-469
Studies toward the total synthesis of Sch 202596, an antagonist of the galanin receptor subtype GalR1: synthesis of geodin, the spirocoumaranone subunit of Sch 202596
Tadashi Katoh, Osamu Ohmori
Structure      13C NMR   碳谱模拟图

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12 .     3-(2-benzyloxy-6-hydroxyphenyl)-1,5-dimethylpyrazole
C18H18N2O2     相似度:56.2%
Journal of Heterocyclic Chemistry          2000          37          1629-1634
Synthesis of 3-(2-benzyloxy-6-hydroxyphenyl)-1-methylpyrazoles by the reaction of chromones with methylhydrazine
Diana C. G. A. Pinto, Artur M. S. Silva and José A. S. Cavaleiro
Structure      13C NMR   碳谱模拟图

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13 .     2-amino-5-[4-(2,4-dihydroxyphenyl)-5-(4-methoxyphenyl)-pyrimidin-2-ylamino]pentanoic acid
C22H24N4O5     相似度:56.2%
Journal of Heterocyclic Chemistry          2010          47          1209-1214
One-step synthesis of 2-amino-5-(4,5-diphenylpyrimidin-2-ylamino)pentanoic acid from isoflavones and arginine
Zun-Ting Zhang, Wen-Yong Han and Li Qiu
Structure      13C NMR   碳谱模拟图

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14 .     5,4'-二羟基-7,8-二甲氧基黄酮
    相似度:56.2%
Chinese Traditional and Herbal Drugs          2008          39          1463-1465
水菖蒲的化学成分研究
肖昌钱;翁林佳;张相宜;赵霞;周长新
Structure      13C NMR   碳谱模拟图

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15 .     Isosulochrin
C17H16O7     相似度:56.2%
Journal of the Brazilian Chemical Society          2011          22          993-996
Novel Anthraquinone Derivatives Produced by Pestalotiopsis guepinii, an Endophytic of the Medicinal Plant Virola michelii (Myristicaceae)
Marilene N. Oliveira, Lourivaldo S. Santos, Giselle M. S. P. Guilhon, Alberdan S. Santos, Isabel C. S. Ferreira, Manoel L. Lopes-Junior, Mara Silvia P. Arruda, Andrey M. R. Marinho, Milton N. da Silva, Edson Rodrigues-Filho and Maria C. F. Oliveira
Structure      13C NMR   碳谱模拟图

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16 .     Chloroisosulochrin
C17H15O6Cl     相似度:56.2%
Journal of the Brazilian Chemical Society          2011          22          993-996
Novel Anthraquinone Derivatives Produced by Pestalotiopsis guepinii, an Endophytic of the Medicinal Plant Virola michelii (Myristicaceae)
Marilene N. Oliveira, Lourivaldo S. Santos, Giselle M. S. P. Guilhon, Alberdan S. Santos, Isabel C. S. Ferreira, Manoel L. Lopes-Junior, Mara Silvia P. Arruda, Andrey M. R. Marinho, Milton N. da Silva, Edson Rodrigues-Filho and Maria C. F. Oliveira
Structure      13C NMR   碳谱模拟图

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17 .     pestalotether D
C18H18O8     相似度:55.5%
Tetrahedron          2012          68          2299-2305
Chlorinated chromone and diphenyl ether derivatives from the mangrove-derived fungus Pestalotiopsis sp. PSU-MA69
Saranyoo Klaiklay, Vatcharin Rukachaisirikul, Kwanruthai Tadpetch, Yaowapa Sukpondma, Souwalak Phongpaichit, Jirayu Buatong, Jariya Sakayaroj
Structure      13C NMR   碳谱模拟图

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18 .     gliricidol
C17H14O6     相似度:52.9%
Journal of Natural Products          1999          62          188-190
New 12a-Hydroxyrotenoids from Gliricidia sepium Bark
Luca Rastrelli, Ingeborg Berger, Wolfang Kubelka, Armando Caceres, Nunziatina De Tommasi, and Francesco De Simone
Structure      13C NMR   碳谱模拟图

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19 .     krametosan
C17H14O5     相似度:52.9%
Natural Product Research          2001          15          323-329
Kramentosan, a New Trinorlignan from the Roots of Krameria tomentosa
Samia A. S. Silva; Janiza C. M. De Castro; Terezinha G. Da Silva; Emidio V. L. Da-cunha; José Maria Barbosa-Filho; Marcelo S. Da Silva
Structure      13C NMR   碳谱模拟图

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20 .     methyl 2-hydroxy-4-(2-hydroy-3-methoxy-5-methylphenoxy)-6-methylbenzoat
C17H18O6     相似度:52.9%
The Journal of Antibiotics          2011          64          465-467
Diphenyl etheric metabolites from Streptomyces sp. neau50
Dian-Liang Gong, Xiang-Jing Wang, Zhi-Dan Xiang, Ji-Dong Wang, Hui Zhang, Chong-Xi Liu, Ji Zhang and Wen-Sheng Xiang
Structure      13C NMR   碳谱模拟图

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21 .     2,8-dimethoxy-6-methyl-9-oxo-9Hxanthene-1-carboxylic acid methyl ester
C18H16O6     相似度:50%
Phytochemistry          2004          65          2373-2378
Xanthones from a microfungus of the genus Xylaria
Peter C. Healy, Ailsa Hocking, Nai Tran-Dinh, John I. Pitt, Roger G. Shivas,Jennifer K. Mitchell, Mike Kotiw, Rohan A. Davis
Structure      13C NMR   碳谱模拟图

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22 .     2-methoxygliricidol
C18H16O7     相似度:50%
Journal of Natural Products          1999          62          188-190
New 12a-Hydroxyrotenoids from Gliricidia sepium Bark
Luca Rastrelli, Ingeborg Berger, Wolfang Kubelka, Armando Caceres, Nunziatina De Tommasi, and Francesco De Simone
Structure      13C NMR   碳谱模拟图

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23 .     cercophorin A
C20H16O9     相似度:50%
Journal of Natural Products          1996          59          765-769
Cercophorins A-C: Novel Antifungal and Cytotoxic Metabolites from the Coprophilous Fungus Cercophora areolata
Authrine C. Whyte and James B. Gloer
Structure      13C NMR   碳谱模拟图

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24 .     4,9-dimethoxyphenanthrene-2,5-diol
C16H14O4     相似度:50%
Chemistry of Natural Compounds          2009          45          414-416
CHEMICAL CONSTITUENTS OF Dendrobium chrysotoxum
Yu-Peng Li, Chen Qing, Tian-Tian Fang,Ying Liu,1 and Ye-Gao Chen1
Structure      13C NMR   碳谱模拟图
艰难困苦,玉汝于成。
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