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zhiwu1983

木虫 (正式写手)

[求助] 求助微谱数据

碳谱数据如下:13.5,13.6,13.7,17.6,21.9,32.2,34.7,37.0,38.1,39.8,42.1,43.5,43.5,48.4,55.3,56.9,64.0,74.8,209.2,210.4,219.0
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lifeliuyan

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【答案】应助回帖

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zhiwu1983: 金币+15, ★★★★★最佳答案 2013-10-12 21:19:20
查询结果:共查到399个化合物(查询结果仅供参考)  
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1 .     7β-hydroxypregn-4-ene-3,16-dione
C21H30O3     相似度:66.6%
Journal of Natural Products          1998          61          428-431
Microbial Transformations of Hypolipemic E-Guggulsterone
Atta-ur-Rahman, M. Iqbal Choudhary, Farzana Shaheen, M. Ashraf, and Sarwat Jahan
Structure      13C NMR   碳谱模拟图

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2 .     2α,3α,5-Trihydroxy-5α-pregnane-6,20-dione
C21H32O5     相似度:66.6%
Canadian Journal of Chemistry          2005          83          1084-1092
Synthesis and preliminary bioactivity evaluation of new pregnane brassinosteroid-like compounds
Daniel G. Rivera and Francisco Coll
Structure      13C NMR   碳谱模拟图

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3 .     3β,4α-dihydroxypregnan-21-one
C21H34O3     相似度:61.9%
Phytochemistry          2008          69          1319-1327
Structural elucidation of limonoids and steroids from Trichilia connaroides
Xiao-Ning Wang, Cheng-Qi Fan, Sheng Yin, Li-She Gan, Jian-Min Yue
Structure      13C NMR   碳谱模拟图

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4 .     5β-Pregnane-3,20-dione
     相似度:61.9%
Steroids          2002          67          621-626
13C-NMR study of 4-azasteroids in solution and solid state
Jacek W. Morzycki, Iwona Wawer, Agnieszka Gryszkiewicz, Jadwiga Maj, Leszek Siergiejczyk, Alicja Zaworska
Structure      13C NMR   碳谱模拟图

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5 .     5β-pregn-3,20-dione
C21H32O2     相似度:61.9%
Natural Product Research          2008          22          154-166
Antifouling and antibacterial compounds from the gorgonians Subergorgia suberosa and Scripearia gracillis
S. H. Qi; S. Zhang; L. H. Yang; P. Y. Qian
Structure      13C NMR   碳谱模拟图

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6 .     2α,3β-dihydroxypregnan-16-one 2β,19-hemiketal
C21H32O4     相似度:61.9%
Phytochemistry          1997          45          1495-1500
Androstane and pregnane 2β, 19-hemiketal steroids from Trichilia claussenii
Mônica T. Pupo, Paulo C. Vieira, João B. Fernandes, M. Fátima das G.F. da Silva, Edson Rodrigues Fo
Structure      13C NMR   碳谱模拟图

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7 .     2α,3α,4β-trihydroxypregnan-16-one
     相似度:61.9%
Phytochemistry          1997          45          1495-1500
Androstane and pregnane 2β, 19-hemiketal steroids from Trichilia claussenii
Mônica T. Pupo, Paulo C. Vieira, João B. Fernandes, M. Fátima das G.F. da Silva, Edson Rodrigues Fo
Structure      13C NMR   碳谱模拟图

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8 .     5β-pregnane-3,20-dione
     相似度:61.9%
Journal of Natural Products          1987          Vol 50          195
Cytotoxic Steroids of Gelsemium sempervirens
Yeh Schun, Geoffrey A. Cordell
Structure      13C NMR   碳谱模拟图

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9 .     3β,5-Dihydroxy-5α-pregna-6,20-dione
C21H32O4     相似度:61.9%
Canadian Journal of Chemistry          2005          83          1084-1092
Synthesis and preliminary bioactivity evaluation of new pregnane brassinosteroid-like compounds
Daniel G. Rivera and Francisco Coll
Structure      13C NMR   碳谱模拟图

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


10 .     5-Hydroxy-5α-pregn-2-ene-6,20-dione
C21H30O3     相似度:61.9%
Canadian Journal of Chemistry          2005          83          1084-1092
Synthesis and preliminary bioactivity evaluation of new pregnane brassinosteroid-like compounds
Daniel G. Rivera and Francisco Coll
Structure      13C NMR   碳谱模拟图

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


11 .     Compound 13
     相似度:61.9%
Magnetic Resonance in Chemistry          2005          43          676-678
1H and 13C NMR spectral assignment of androstane derivatives
Ariadna Fuente, Mayra Reyes, Yoanna M. Alvarez, José A. Ruiz, Hermán Vélez, Omar Viñas-Bravo, Sara Montiel-Smith, Socorro Meza-Reyes and Jesús Sandoval-Ramírez
Structure      13C NMR   碳谱模拟图

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12 .     5β-pregnane-3,20-dione
     相似度:61.9%
Steroids          1995          60          337-352
Microbial transformation of steroids: Contribution to 14α-hydroxylations
Shang-hui Hu, Gilles Genain, Robert Azerad
Structure      13C NMR   碳谱模拟图

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13 .     3β-Acetoxy-5,6-seco-5-oxo-3-pregnen-6-oic acid
C21H30O4     相似度:61.9%
Bioorganic & Medicinal Chemistry          2000          8          299-306
Steroidal derived acids as inhibitors of human Cdc25A protein phosphatase
Hairuo Peng, Wenge Xie, Deog-Il Kim, Leon H. Zalkow, Garth Powis, Diane M. Otterness, Robert T. Abraham
Structure      13C NMR   碳谱模拟图

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


14 .     5β-pregn-3,20-dione
     相似度:61.9%
Natural Product Research and Development          2008          20          1-4
Pregnane Steroids in Gorgonian Subergorgia suberosa from the South China Sea
QI Shu-hua; SU Guo-chen; ZHANG Si
Structure      13C NMR   碳谱模拟图

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


15 .     16-aza-ent-trachylobane
     相似度:61.9%
Journal of the American Chemical Society          2007          129          12453-12460
16-Aza-ent-beyerane and 16-Aza-ent-trachylobane:  Potent Mechanism-Based Inhibitors of Recombinant ent-Kaurene Synthase from Arabidopsis thaliana
Arnab Roy, Frank G. Roberts, P. Ross Wilderman, Ke Zhou, Reuben J. Peters, and Robert M. Coates
Structure      13C NMR   碳谱模拟图

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


16 .     3β,4α-dihydroxypregnan-16-one
C21H34O3     相似度:61.9%
Canadian Journal of Chemistry          2003          81          253-257
A pentanortriterpenoid with a novel carbon skeleton and a new pregnane from Trichilia connaroides
Hua-Ping Zhang, Shao-Hua Wu, Yue-Mao Shen, Yun-Bao Ma, Da-Gang Wu, Shu-Hua Qi, Xiao-Dong Luo
Structure      13C NMR   碳谱模拟图

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17 .     5β-pregna-3,20-dione
     相似度:61.9%
Journal of Medicinal Chemistry          2012          55          10662-10673
Bile Acid-Based 1,2,4-Trioxanes: Synthesis and Antimalarial Assessment1
Chandan Singh, , Mohammad Hassam, Ved Prakash Verma, Ajit Shanker Singh, Niraj Krishna Naikade, Sunil K. Puri, Prakas R. Maulik, and Ruchir Kant
Structure      13C NMR   碳谱模拟图

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18 .     5β-Pregnane-3,20-dione
C21H32O2     相似度:61.9%
Organic Magnetic Resonance          1977          9          439-464
13C N.m.r. Spectra of steroids—A Survey and Commentary
J.W.Blunt and J.B.Stothers
Structure      13C NMR   碳谱模拟图

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


19 .     15(8→9)abeo-8β(H)-12R,16β-dibromostachan-2-one
C20H30Br2O     相似度:61.9%
Phytochemistry          2011          72          2361-2368
Stemodin-derived analogues with lipid peroxidation, cyclooxygenase enzymes and human tumour cell proliferation inhibitory activities
Floyd A. Russell, Vanisree Mulabagal, Dwayne R. Thompson, Marvadeen A. Singh-Wilmot, William F. Reynolds, Muraleedharan G. Nair, Vratislav Langer, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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20 .     3β-hydroxy-5α-pregnan-20-one
C21H34O2     相似度:61.9%
Chinese Journal of Marine Drugs          2012          31          11-16
Secondary metabolites of gorgonian Subergorgia suberosa from the South China Sea
NING Qin-jian; SHAO Chang-lun; LI Xiu-Bao; WANG Ya-nan; WANG Chang-yun
Structure      13C NMR   碳谱模拟图

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


21 .     5α-pregnane-3,20-dione
C21H32O2     相似度:61.9%
Chinese Journal of Marine Drugs          2012          31          11-16
Secondary metabolites of gorgonian Subergorgia suberosa from the South China Sea
NING Qin-jian; SHAO Chang-lun; LI Xiu-Bao; WANG Ya-nan; WANG Chang-yun
Structure      13C NMR   碳谱模拟图

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


22 .     2α,3β-diacetoxypregnan-2,16-one
     相似度:60%
Phytochemistry          1997          45          1495-1500
Androstane and pregnane 2β, 19-hemiketal steroids from Trichilia claussenii
Mônica T. Pupo, Paulo C. Vieira, João B. Fernandes, M. Fátima das G.F. da Silva, Edson Rodrigues Fo
Structure      13C NMR   碳谱模拟图

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23 .     cytosporic acid
C22H34O6     相似度:59.0%
Journal of Natural Products          2003          66          551-553
Isolation, Structure, and HIV-1 Integrase Inhibitory Activity of Cytosporic Acid, a Fungal Metabolite Produced by a Cytospora sp.
Hiranthi Jayasuriya, Ziqiang Guan, Jon D. Polishook, Anne W.Dombrowski, Peter J. Felock, Daria J. Hazuda, and Sheo B. Singh
Structure      13C NMR   碳谱模拟图

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24 .     compound 14b
C22H34O4     相似度:59.0%
Bioorganic & Medicinal Chemistry          2009          17          1464-1473
Stereoselective synthesis of bioactive isosteviol derivatives as α-glucosidase inhibitors
Ya Wu, Jing-Hua Yang, Gui-Fu Dai, Cong-Jun Liu, Guo-Qiang Tian, Wen-Yan Ma, Jing-Chao Tao
Structure      13C NMR   碳谱模拟图
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