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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:
15.1,16.7,16.8,23.3,25.5,27.8,30.4,32.1,36.5,37.5,40.5,41.3,45.4,46.8,54.6,79.7,143.8,178.6
辛苦各位了,谢谢。
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碧雪清谭
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Keydream

木虫 (正式写手)

2楼2012-06-29 14:10:32
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Keydream

木虫 (正式写手)

【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与,应助指数 +1
杨大松: 金币+10, ★★★★★最佳答案 2012-06-29 14:25:27
中药2000: 金币+2, 谢谢 2012-06-29 22:09:27
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
15.1,16.7,16.8,23.3,25.5,27.8,30.4,32.1,36.5,37.5,40.5,41.3,45.4,46.8,54.6,79.7,143.8,178.6
  
溶剂选项: 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值  
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871个化合物(查询结果仅供参考)  
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1 .     vitedoin B
C19H30O4     相似度:66.6%
Journal of Natural Products          2004          67          2073-2075
Lignan Derivatives and a Norditerpene from the Seeds of Vitex negundo
Masateru Ono, Yoichiro Nishida, Chikako Masuoka, Jian-Chen Li, Masafumi Okawa, Tsuyoshi Ikeda, and Toshihiro Nohara
Structure      13C NMR   碳谱模拟图
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2 .     serratezomine E
C18H32N2O     相似度:66.6%
Bioorganic & Medicinal Chemistry Letters          2009          19          3577-3580
Serratezomines D and E, new Lycopodium alkaloids from Lycopodium serratum var. serratum
Takaaki Kubota, Hiroko Yahata, Sunao Yamamoto, Shigeki Hayashi, Toshiro Shibata, Jun’ichi Kobayashi
Structure      13C NMR   碳谱模拟图
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3 .     negundoal
C21H32O4     相似度:66.6%
Fitoterapia          2012          83          49-54
Sesquiterpenoids and norterpenoids from Vitex negundo
Cheng-Jian Zheng, Jiang Pu, Hong Zhang, Ting Han, Khalid Rahman, Lu-Ping Qin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

4 .     epi-populifolic acid
C20H34O2     相似度:65%
Journal of Natural Products          2003          66          316-319
cis-Clerodane Type Diterpenes from Cistus monspeliensis1
Eleftherios Kalpoutzakis, Nektarios Aligiannis, Alexios-Leandros Skaltsounis, and Sofia Mitakou
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

5 .     epi-populifolic acid
    相似度:65%
Phytochemistry          1992          31          3277-3279
Epi-populifolic acid from Aristolochia cymbifera
Gilda G. Leitào, Maria Auxiliadora C. Kaplan, Corrado Galeffi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

6 .     labd-7-en-15,18-dioic acid-18α-methylester
    相似度:61.9%
Natural Product Research          2002          16          223-228
Labdane Diterpenes from Haplopappus Illinitus
Francesca Faini; Cecilia Labbé; René Torres; Giuliano Delle Monache; Franco Delle Monache
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

7 .     stemaphylline
C17H29NO2     相似度:61.1%
Journal of Natural Products          2009          72          848-851
Alkaloids from the Roots of Stemona aphylla
Pitchaya Mungkornasawakul, Sukanda Chaiyong, Thanapat Sastraruji, Araya Jatisatienr, Chaiwat Jatisatienr,Stephen G. Pyne, Alison T. Ung, John Korth,and Wilford Lie
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

8 .     (1R,10R)-9β-hydroxyaromadendrane
C15H26O     相似度:61.1%
Phytochemistry          2002          60          475-481
Aromadendrane transformations by Curvularia lunata ATCC 12017
Dwight O. Collins, William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

9 .     alkaloids 2-oxostenine
    相似度:61.1%
Helvetica Chimica Acta          2009          92          2125-2133
Alkaloids from the Roots of Stemona tuberosa
Jun-Ping Hu, Dong-Hui Yang, Wen-Han Lin, Shao-Qing Cai
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

10 .     serratezomine E
C18H32N2O     相似度:61.1%
Bioorganic & Medicinal Chemistry Letters          2009          19          3577-3580
Serratezomines D and E, new Lycopodium alkaloids from Lycopodium serratum var. serratum
Takaaki Kubota, Hiroko Yahata, Sunao Yamamoto, Shigeki Hayashi, Toshiro Shibata, Jun’ichi Kobayashi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

11 .     (5S,6S,7S,10R)-7-isopropyl-2,10-dimethyl-6-tri-methylsilyloxyspiro[4.5]dec-1-ene
C18H34OSi     相似度:61.1%
Tetrahedron          2005          61          10853-10860
Silicon guided rearrangement of epoxydecalines to spirocyclic compounds. Synthesis of gleenol and axenol from carvone
Gonzalo Blay, Ana M. Collado, Begoña García, José R. Pedro
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

12 .     9β,13β-endoperoxide-abieta-8 (14)-en-18-oic acid
C20H30O4     相似度:60%
Acta Botanica Sinica          2004          45          1002-1008
Terpenoids and Phenols from Taiwania flousiana
XIANG Ying, YANG Sheng-Ping, ZHAN Zha-Jun, YUE Jian-Min
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

13 .     1β,12:15,16-Diepoxy-cis-ent-cleroda-13(16),14-dien-18α,6α-olide
C20H26O4     相似度:60%
Phytochemistry          2004          65          127-137
ent-Clerodane diterpenes and other constituents from the liverwort Adelanthus lindenbergianus (Lehm.) Mitt.
Barbara Blä s, Josef Zapp, Hans Becker
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

14 .     18-hydroxy-cisclerodan-3-ene-15-oic acid
C20H34O3     相似度:60%
Journal of Natural Products          2003          66          316-319
cis-Clerodane Type Diterpenes from Cistus monspeliensis1
Eleftherios Kalpoutzakis, Nektarios Aligiannis, Alexios-Leandros Skaltsounis, and Sofia Mitakou
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

15 .     portulene
C20H34O4     相似度:60%
Journal of Asian Natural Products Research          2008          10          1039-1043
Portulene, a new diterpene from Portulaca oleracea L.
Ehab S. Elkhayat, Sabrin R.M. Ibrahim and Mohamed A. Aziz
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

16 .     3,12-dioxo-15,16-epoxy-4-hydroxy-cleroda-13(16),14-diene
    相似度:60%
Phytochemistry          1996          41          561-563
Clerodane diterpenes and other constituents of Croton hovarum
Hans C. Krebs, Harisolo Ramiarantsoa
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

17 .     suavioside B methyl ester
C21H32O4     相似度:60%
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
--------------------------------------------------------------------------------

18 .     compound 5
    相似度:60%
Phytochemistry          1992          31          3159-3161
Abietanoid acid from Lepechinia caulescens
llermo Delgado, Enrique Sánchez, Julio Hernández, María Isabel Chávez, Laura Alvarez, Esteban Martínez
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

19 .     leucasdin B
C20H30O6     相似度:60%
Chemical & Pharmaceutical Bulletin          2006          54          1370-1379
Studies on Nepalese Crude Drugs. XXIX. Chemical Constituents of Dronapuspi, the Whole Herb of Leucas cephalotes SPRENG.
Yukinori Miyaichi, Akiko Segawa and Tsuyoshi Tomimori
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

20 .     3,12-dioxo-15,16-epoxy-4-hydroxycleroda-13(16),14-diene
    相似度:60%
Phytochemistry          1988          27          3209-3212
New diterpenoids from Croton argyrophylloides
Francisco J. Q. Monte,Edna M. G. Dantas,Raimundo Braz F.
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

21 .     diethyl 7-dodecyl-1,3-dioxo-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-ylphosphonate
C24H42NO5P     相似度:60%
Heterocycles          2010          82          417-429
Isomerization of Diethyl 1-Alkynylphosphonates to 1,3-Dienylphosphonates Followed by Diels-Alder Reaction with Dead, Maleic Anhydride and Maleimide
Abdullatif Azab, Abed Al Aziz Quntar, Tamar Antebi, and Morris Srebnik
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

22 .     compound 10b
    相似度:60%
Phytochemistry          1984          23          1194-1196
The structure of sagittariol
Shekhar C. Sharma, J.S. Tandon, Barry Porter, Muppala S. Raju, Ernest Wenkert
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

23 .     17α-methyl-5β-dihydrotestosterone
    相似度:60%
Steroids          1983          41          493-500
Metabolism of 17α-methyl-5β-dihydrotestosterone in the rabbit
John F. Templeton, Chung-Ja Choi Jackson
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

24 .     17α-methyl-5α-androstane-3β,6α,-17β-triol
    相似度:60%
Steroids          1983          42          115-121
Metabolism of 17α-methyltestosterone in the rabbit: C-6 and C-16 hydroxylated metabolites
John F. Templeton, Chung-Ja Choi Jackson
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

25 .     ent-16α,17-dihydroxy-kauran-19-oic acid
    相似度:60%
Journal of China Pharmaceutical University          1989          20          203-207
Diterpenes From Pseuduvaria Indochinensis
Xie Ning; Zhong Shouming; Zhao Shouxun; Peter G. Waterman; He Cunheng and Zheng Qitai
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

26 .     1S-hydroperoxy-12S-hydroxy-bromosphaerol-B
    相似度:60%
Tetrahedron          2008          64          5184-5190
Cytotoxic bromoditerpenes from the red alga Sphaerococcus coronopifolius
Vangelis Smyrniotopoulos, Antonio Quesada, Constantinos Vagias, Dimitri Moreau, Christos Roussakis, Vassilios Roussis
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

27 .     3,12-Dioxo-15,16-epoxy-4-hydroxycleroda-13(16),14-diene
    相似度:60%
Natural Product Communications          2006          1          319-336
Clerodane Diterpenes from Croton Species: Distribution anda Compilation of their 13C NMR Spectral Data
Sebastião F. Palmeira Júnior, Lucia M. Conserva and José Maria Barbosa Filho
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

28 .     3β-hydroxy-12-en-ursolic acid
    相似度:59.0%
Acta Bot. Boreal. -Occident. Sin.          2005          25          1234-1237
Lipid-soluble Chemical Constituents in Sonchus oleraceus
HU Pei-zhuo, ZOU Chuan-zong, ZHU Ying
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

29 .     (+)-16-Acetylkaurane-16,17-diol
C22H36O3     相似度:59.0%
Phytochemistry          1994          35          1279-1284
Abietanes and kauranes from leaves of Cryptomeria japonica
Wen-Chiung Su, Jim-Min Fang, Yu-Shia Cheng
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

30 .     Ent-dihydrotucumanoic acid
C20H36O5     相似度:57.8%
Phytochemistry          1994          35          1505-1507
Ent-neoclerodane diterpenes from Gymnosperma glutinosum
Roberto Martínez, José S. Calderón, Rubén A. Toscano, Lucía Valle-Aguilera, Héctor M. Mendoza-Candelaria
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

31 .     Compound 10
    相似度:57.8%
Magnetic Resonance in Chmesitry          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
--------------------------------------------------------------------------------

32 .     compound 16
    相似度:57.8%
Organic Magnetic Resonance          1984          22          736-738
Carbon-13 nuclear magnetic resonance spectra of some heterocyclic D-homoandrostanes
Deanna Marcano, Jeannette De Méndez, Ana C. Ortiz and Mirna Salinas
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

33 .     compound 18
    相似度:57.8%
Organic Magnetic Resonance          1984          22          736-738
Carbon-13 nuclear magnetic resonance spectra of some heterocyclic D-homoandrostanes
Deanna Marcano, Jeannette De Méndez, Ana C. Ortiz and Mirna Salinas
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

34 .     5α-Androstane
C19H32     相似度:57.8%
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
--------------------------------------------------------------------------------

35 .     5α-Androstan-1-one
C19H30O     相似度:57.8%
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
--------------------------------------------------------------------------------

36 .     5α-Androstan-2β-ol
C19H32O     相似度:57.8%
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
--------------------------------------------------------------------------------

37 .     viteagnusin A
C22H36O3     相似度:57.1%
Chemical & Pharmaceutical Bulletin          2008          56(11)          1621-1624
Five New Diterpenoids, Viteagnusins A—E, from the Fruit of Vitex agnus-castus
Masateru ONO,Toru YAMASAKI,Masatarou KONOSHITA,Tsuyoshi IKEDA,Masafumi OKAWA,Junei KINJO,Hitoshi YOSHIMITSU,and Toshihiro NOHARA
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

38 .     3-Methoxy-2'-oxopyrrolidino-[4',5':14β,15β]-estra-1,3,5(10)-trien-17β-ol
C21H27NO3     相似度:57.1%
Steroids          2008          73          585-593
Synthesis and molecular structure of 14,15-pyrrolidino-and 14,16-ethano derivatives of estrone
Alexander V. Baranovsky, Dmitry A. Bolibrukh, James R. Bull, Alexander S. Lyakhov, Vladimir A. Khripach
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

39 .     labd-en-15,18-dioic acid-15-methylester
    相似度:57.1%
Natural Product Research          2002          16          223-228
Labdane Diterpenes from Haplopappus Illinitus
Francesca Faini; Cecilia Labbé; René Torres; Giuliano Delle Monache; Franco Delle Monache
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

40 .     (5R,8R,9S,10R)-ent-3-cleroden-15-oic acid methyl ester
C21H36O2     相似度:57.1%
Phytochemistry          1992          31          3277-3279
Epi-populifolic acid from Aristolochia cymbifera
Gilda G. Leitào, Maria Auxiliadora C. Kaplan, Corrado Galeffi
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

41 .     methyl 9,13β-epidioxy-8(14)-abieten-18-oate
    相似度:57.1%
Phytochemistry          1991          30          593-597
Endoperoxide diterpenoids and other constituents from Abies marocana
Alejandro F. Barrero, Juan F. Sanchez, E. J. Alvarez-Manzaneda, R. M. Muñoz Dorado, Ali Haidour
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

42 .     methyl 9,13α-epidioxy-8(14)-abieten-18-oate
    相似度:57.1%
Phytochemistry          1991          30          593-597
Endoperoxide diterpenoids and other constituents from Abies marocana
Alejandro F. Barrero, Juan F. Sanchez, E. J. Alvarez-Manzaneda, R. M. Muñoz Dorado, Ali Haidour
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

43 .     17β-Acetylamino-15β-hydroxy-5α-androstan-3-one
    相似度:57.1%
Steroids          1998          63          484-495
Microbial hydroxylation of acetylaminosteroids
HerbertL Holland, Gingipalli Lakshmaiah, PeterL Ruddock
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

44 .     negundoin B
C21H32O5     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          175-181
Anti-inflammatory diterpenes from the seeds of Vitex negundo
Cheng-Jian Zheng, Bao-Kang Huang, Yang Wang, Qi Ye, Ting Han, Qiao-Yan Zhang, Hong Zhang, Lu-Ping Qin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

45 .     negundoin C
C21H32O4     相似度:57.1%
Bioorganic & Medicinal Chemistry          2010          18          175-181
Anti-inflammatory diterpenes from the seeds of Vitex negundo
Cheng-Jian Zheng, Bao-Kang Huang, Yang Wang, Qi Ye, Ting Han, Qiao-Yan Zhang, Hong Zhang, Lu-Ping Qin
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

46 .     (3aR,3bS,4R,5aS,6aR,7S,9aS)-Octahydro-4-hydroxy-1,3b,7-trimethyl-4H-oxireno[1,8a]azuleno[4,5- b]furan-2(1H)-one
C15H22O4     相似度:55.5%
Helvetica Chimica Acta          2008          Vol. 91          1137
Two New Pseudoguaianolides from the Flowers of Parthenium hysterophorus
Biswanath Das, Kongara Ravinder Reddy, Bommena Ravikanth, Akella Venkata Subrahmanya Sarma, and Balasubramanian Sridhar
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

47 .     (12RS)-(8E,10E)-12-hydroxy-7-oxo-8,10-octadecadienoic acid
C18H30O4     相似度:55.5%
Chemical & Pharmaceutical Bulletin          2006          54(8)          1213-1215
Conjugated Ketonic Fatty Acids from Pleurocybella porrigens
Yoshiaki AMAKURA,Kazunari KONDO,Hiroshi AKIYAMA,Hideyuki ITO,Tsutomu HATANO,Takashi YOSHIDA,and Tamio MAITANI
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

48 .     aromadendr-1(10)-en-9-one
    相似度:55.5%
Phytochemistry          2002          59          479-488
Microbial transformation of cadina-4,10(15)-dien-3-one,aromadendr-1(10)-en-9-one and methyl ursolate by Mucor plumbeus ATCC 4740
Dwight O. Collins, Peter L.D. Ruddock, Jessica Chiverton de Grasse,William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

49 .     squamulosone
    相似度:55.5%
Phytochemistry          2002          60          475-481
Aromadendrane transformations by Curvularia lunata ATCC 12017
Dwight O. Collins, William F. Reynolds, Paul B. Reese
Structure      13C NMR   碳谱模拟图
--------------------------------------------------------------------------------

50 .     Eudesm-4(15)-en-7-ol
    相似度:55.5%
Phytochemistry          2001          58          789-798
Sesquiterpenoid constituents of the liverworts Lepidozia fauriana and Lepidozia vitrea
Claudia Paul, Wilfried A. König, Chia-Li Wu
Structure      13C NMR   碳谱模拟图
3楼2012-06-29 14:16:20
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杨大松

至尊木虫 (文坛精英)

嘿嘿,辛苦了,谢谢。
碧雪清谭
4楼2012-06-29 14:30:26
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杨大松

至尊木虫 (文坛精英)

去了咖啡酰基的齐墩果酸,纯度不是很好,信号有重叠,谢谢啊。
碧雪清谭
5楼2012-06-29 15:59:05
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Keydream

木虫 (正式写手)


中药2000: 金币+1, 谢谢 2012-06-29 22:09:42
你分离的东西都很不错  
我们最近在分离 环烯醚萜 和 萘醌类
6楼2012-06-29 16:17:17
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杨大松

至尊木虫 (文坛精英)

做植化的已知的化合物都是一样的。
碧雪清谭
7楼2012-06-29 19:40:04
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chzhbin

金虫 (职业作家)

引用回帖:
3楼: Originally posted by Keydream at 2012-06-29 14:16:20
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
15.1,16.7,16.8,23.3,25.5,27.8,30.4,32.1,36.5,37.5, ...

http://muchong.com/bbs/space.php?uid=573652&view=thread   大神,帮我查查我的帖子谢谢了呢!
8楼2012-08-19 00:37:47
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