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夏小美123456

新虫 (初入文坛)

[求助] 求助2个微谱数据

1:
δ C (151 MHz, DMSO) 183.2, 154.90, 101.92, 68.06, 50.61, 47.87, 44.72, 43.57, 42.49,  39.15, 38.41, 37.76, 37.52, 37.48, 35.11, 31.46, 27.82, 22.06, 20.74, 18.81.
2:
δ C (151 MHz, CDCl3) 155.31, 102.22, 81.20, 64.65, 51.45, 48.93, 43.52, 43.16, 39.64, 39.08, 38.35, 37.88, 37.00, 33.92, 32.46, 28.26, 28.11, 23.54, 22.37, 20.39.
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audreygc

铁杆木虫 (正式写手)

引用回帖:
5楼: Originally posted by 木风枫pan at 2012-11-21 10:34:33
我都是按相似度由大到小给你发的 你得慢慢对谱...

她娟姨,你发错人了吧。。。
6楼2012-11-21 10:53:42
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木风枫pan

木虫 (小有名气)

【答案】应助回帖

感谢参与,应助指数 +1
11 .     19-(N,N-dimethylcarbamoxy)-2β,13-dihydroxystemarane
C23H39NO4     相似度:63.6%
Phytochemistry          2006          67          1088-1093
Bioconversion of Stemodia maritima diterpenes and derivatives by Cunninghamella echinulata var. elegans and Phanerochaete chrysosporium
Andrew S. Lamm, William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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

2 .     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

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

3 .     ent-kaur-16-ene-9-ol
    相似度:61.9%
Phytochemistry          1992          31          1553-1559
Minor diterpene glycosides from sweet leaves of Rubus suavissimus
Kazuhiro Ohtani, Yoko Aikawa, Ryoji Kasai, Wen-Hua Chou, Kazuo Yamasaki, Osamu Tanaka
Structure      13C NMR   碳谱模拟图

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

4 .     Methyl-ent-pimar-9(11)en-19-oate
    相似度:61.9%
Phytochemistry          1986          25          1240-1242
Pimaradiene diterpenes from mikania triangularis
Fernanda S. Knudsen, Wagner Vilegas, Fernando Oliveira, Nidia F. Roque
Structure      13C NMR   碳谱模拟图

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

5 .     3β-Acetoxy-7α-hydroxyandrost-5-en-17-one
    相似度:61.9%
Steroids          1996          61          453-460
Steroidal allylic fluorination using diethylaminosulfur trifluoride: A convenient method for the synthesis of 3β-acetoxy-7α-and 7β-fluoroandrost-5-en-17-one
Padma Marwah, James B. Thoden, Douglas R. Powell, Henry A. Lardy
Structure      13C NMR   碳谱模拟图

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

6 .     isodehydropopulifolic acid methyl ester
    相似度:61.9%
Tetrahedron          1994          50          10791-10802
Ring a functionalized Neo-clerodane diterpenoids from Cistus populifolius
Julio G. Urones, Pilar Basabe, Isidro S. Marcos, Alicia Jiménez, Anna M. Lithgow, Margarita López, Rosalina F. Moro, Antonio Gómez
Structure      13C NMR   碳谱模拟图  
2:1 .     stemodin
    相似度:65%
Phytochemistry          2004          65          701-710
Investigation of the importance of the C-2 oxygen function in the transformation of stemodin analogues by Rhizopus oryzae ATCC 11145
Glenroy D.A. Martin, William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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

2 .     stemodin
    相似度:65%
Phytochemistry          2004          65          2211-2217
Investigation of the importance of the C-2 and C-13 oxygen functions in the transformation of stemodin analogues by Rhizopus oryzae ATCC 11145
Glenroy D.A. Martin, William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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

3 .     stemodin
    相似度:65%
Phytochemistry          2002          59          57-62
Biotransformation of terpenes from Stemodia maritima by Aspergillus niger ATCC 9142
Avril R.M. Chen, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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

4 .     alcohol
C18H32O     相似度:65%
Journal of Natural Products          1997          60          1261-1264
Cyclic Peroxides and Related Norterpenes from a Southern Australian Marine Sponge, Mycale sp.
Robert J. Capon, Simone J. Rochfort, and Simon P. B. Ovenden
Structure      13C NMR   碳谱模拟图

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

5 .     compound 2
C20H32O2     相似度:65%
Phytochemistry          1980          19          1237-1238
Kaurenoid diterpenes from Stachys lanata
Franco Piozzi, Giuseppe Savona, James R. Hanson
Structure      13C NMR   碳谱模拟图

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

6 .     Ent-3α-hydroxykaur-16-ene
    相似度:65%
Journal of the Brazilian Chemical Society          2004          15          767-772
Terpenoid Constituents from Leaves of Guarea kunthiana
Fernanda R. Garcez, Walmir S. Garcez, Ana Francisca G. da Silva, Rita de Cássia Bazzo and Ubirazilda M. Resende
Structure      13C NMR   碳谱模拟图

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

7 .     methyl ent-isopimara-9(11),15-diene-oic acid
C21H32O2     相似度:61.9%
Phytochemistry          1991          30          3365-3368
Diterpenes from Calceolaria polifolia
Maria C. Chamy, Marisa Piovano, Juan A. Garbarino, Vicente Gambaro
Structure      13C NMR   碳谱模拟图

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

8 .     Compound 9
    相似度:61.9%
Phytochemical Analysis          1993          4          19-24
Carbon-13 nuclear magnetic resonance spectra of some tetracyclic diterpenoids isolated from Elaeoselinum species
Manuel Grande, Joaquín R. Morán, María Jesús Macías and Balbino Mancheño
Structure      13C NMR   碳谱模拟图
2楼2012-11-21 10:28:29
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audreygc

铁杆木虫 (正式写手)

【答案】应助回帖

感谢参与,应助指数 +1
同学,你从小到大再发一次吧。要不然查着太麻烦。
3楼2012-11-21 10:28:50
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木风枫pan

木虫 (小有名气)

【答案】应助回帖

第一个化合物:1 .     19-(N,N-dimethylcarbamoxy)-2β,13-dihydroxystemarane
C23H39NO4     相似度:63.6%
Phytochemistry          2006          67          1088-1093
Bioconversion of Stemodia maritima diterpenes and derivatives by Cunninghamella echinulata var. elegans and Phanerochaete chrysosporium
Andrew S. Lamm, William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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

2 .     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

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

3 .     ent-kaur-16-ene-9-ol
    相似度:61.9%
Phytochemistry          1992          31          1553-1559
Minor diterpene glycosides from sweet leaves of Rubus suavissimus
Kazuhiro Ohtani, Yoko Aikawa, Ryoji Kasai, Wen-Hua Chou, Kazuo Yamasaki, Osamu Tanaka
Structure      13C NMR   碳谱模拟图

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

4 .     Methyl-ent-pimar-9(11)en-19-oate
    相似度:61.9%
Phytochemistry          1986          25          1240-1242
Pimaradiene diterpenes from mikania triangularis
Fernanda S. Knudsen, Wagner Vilegas, Fernando Oliveira, Nidia F. Roque
Structure      13C NMR   碳谱模拟图

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

5 .     3β-Acetoxy-7α-hydroxyandrost-5-en-17-one
    相似度:61.9%
Steroids          1996          61          453-460
Steroidal allylic fluorination using diethylaminosulfur trifluoride: A convenient method for the synthesis of 3β-acetoxy-7α-and 7β-fluoroandrost-5-en-17-one
Padma Marwah, James B. Thoden, Douglas R. Powell, Henry A. Lardy
Structure      13C NMR   碳谱模拟图

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

6 .     isodehydropopulifolic acid methyl ester
    相似度:61.9%
Tetrahedron          1994          50          10791-10802
Ring a functionalized Neo-clerodane diterpenoids from Cistus populifolius
Julio G. Urones, Pilar Basabe, Isidro S. Marcos, Alicia Jiménez, Anna M. Lithgow, Margarita López, Rosalina F. Moro, Antonio Gómez
Structure      13C NMR   碳谱模拟图  
第二个化合物
1 .     stemodin
    相似度:65%
Phytochemistry          2004          65          701-710
Investigation of the importance of the C-2 oxygen function in the transformation of stemodin analogues by Rhizopus oryzae ATCC 11145
Glenroy D.A. Martin, William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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

2 .     stemodin
    相似度:65%
Phytochemistry          2004          65          2211-2217
Investigation of the importance of the C-2 and C-13 oxygen functions in the transformation of stemodin analogues by Rhizopus oryzae ATCC 11145
Glenroy D.A. Martin, William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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

3 .     stemodin
    相似度:65%
Phytochemistry          2002          59          57-62
Biotransformation of terpenes from Stemodia maritima by Aspergillus niger ATCC 9142
Avril R.M. Chen, Paul B. Reese
Structure      13C NMR   碳谱模拟图

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

4 .     alcohol
C18H32O     相似度:65%
Journal of Natural Products          1997          60          1261-1264
Cyclic Peroxides and Related Norterpenes from a Southern Australian Marine Sponge, Mycale sp.
Robert J. Capon, Simone J. Rochfort, and Simon P. B. Ovenden
Structure      13C NMR   碳谱模拟图

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

5 .     compound 2
C20H32O2     相似度:65%
Phytochemistry          1980          19          1237-1238
Kaurenoid diterpenes from Stachys lanata
Franco Piozzi, Giuseppe Savona, James R. Hanson
Structure      13C NMR   碳谱模拟图

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

6 .     Ent-3α-hydroxykaur-16-ene
    相似度:65%
Journal of the Brazilian Chemical Society          2004          15          767-772
Terpenoid Constituents from Leaves of Guarea kunthiana
Fernanda R. Garcez, Walmir S. Garcez, Ana Francisca G. da Silva, Rita de Cássia Bazzo and Ubirazilda M. Resende
Structure      13C NMR   碳谱模拟图

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

7 .     methyl ent-isopimara-9(11),15-diene-oic acid
C21H32O2     相似度:61.9%
Phytochemistry          1991          30          3365-3368
Diterpenes from Calceolaria polifolia
Maria C. Chamy, Marisa Piovano, Juan A. Garbarino, Vicente Gambaro
Structure      13C NMR   碳谱模拟图

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

8 .     Compound 9
    相似度:61.9%
Phytochemical Analysis          1993          4          19-24
Carbon-13 nuclear magnetic resonance spectra of some tetracyclic diterpenoids isolated from Elaeoselinum species
Manuel Grande, Joaquín R. Morán, María Jesús Macías and Balbino Mancheño
Structure      13C NMR   碳谱模拟图
4楼2012-11-21 10:33:33
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