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laiyin_111木虫 (正式写手)
梦想家
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[求助]
求助13C微谱数据
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化合物15个碳，为倍半萜类化合物。 13C-NMR数据如下：199.6,170.1,124.7,73.5,53.5,42.0,40.5,39.9,39.7,39.3,32.7,26.7,21.2,16.9,15.0 请高手帮忙看结构类似化合物。我的邮箱：laiyin_111@163.com 多谢了！不胜感激！ |
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kaola0916
铁杆木虫 (著名写手)
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【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
laiyin_111: 金币+10, 谢谢您的帮助！ 2012-06-16 09:58:46
感谢参与，应助指数 +1
laiyin_111: 金币+10, 谢谢您的帮助！ 2012-06-16 09:58:46
|
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 15.0,16.9,21.2,26.7,32.7,39.3,39.7,39.9,40.5,42.0,53.5,73.5,124.7,170.1,199.6 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169个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . (+)-(4R,5S,7R)-11,12-Dihydroxynootkatone 相似度:86.6% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . (+)-(4R,5S,7R)-7,11,12-Trihydroxynootkatone C15H24O4 相似度:86.6% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . (+)-nootkatone 相似度:73.3% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . (+)-(4R,5S,7R,11S)-11,12-epoksynootkatone 相似度:73.3% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . nootkatone 相似度:73.3% Phytochemistry 1987 26 571-572 A valencane sesquiterpenoid from Teucrium carolipaui Giuseppe Savona,Franco Piozzi,María C. De La Torre,Orietta Servettaz,Benjamín Rodríguez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 11-hydroxy-valenc-1(10)-en-2-one C15H24O2 相似度:66.6% Phytochemistry 1987 26 571-572 A valencane sesquiterpenoid from Teucrium carolipaui Giuseppe Savona,Franco Piozzi,María C. De La Torre,Orietta Servettaz,Benjamín Rodríguez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . (4aR,5S,6R,8aR)-Decahydro-5-(2-hydroxyethyl)-1,5,6,8α-tetramethylnaphthalen-2-ol C16H30O2 相似度:62.5% Chemistry & Biodiversity 2009 6 447-458 Structure– Activity Relationship Studies on the Mosquito Toxicity and Biting Deterrency of Callicarpenal Derivatives Charles L. Cantrell, Jerome A. Klun, Julia Pridgeon, James Becnel, Solomon Green III, and Frank R. Fronczek Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 12α-methyl-8(14)-podocarpen-13-one 相似度:61.1% Magnetic Resonance in Chmesitry 2000 38 1019-1022 1H and 13C NMR assignments and conformational analysis of some podocarpene derivatives Manuel Arnó, Miguel A. González, M. Luisa Marín and Ramón J. Zaragozá Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . rulepidadiol C15H22O3 相似度:60% Helvetica Chimica Acta 2000 Vol. 83 3191 New Terpenoids from Basidiomycetes Russula lepida Tan Jian-Wen, Dong Ze-Jun, and Liu Ji-Kai Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . oxyphyllol C C15H26O2 相似度:60% Journal of Natural Products 2002 65 1468-1474 Absolute Stereostructures of Three New Sesquiterpenes from the Fruit of Alpinia oxyphylla with Inhibitory Effects on Nitric Oxide Production and Degranulation in RBL-2H3 Cells1 Toshio Morikawa, Hisashi Matsuda, Iwao Toguchida, Kazuho Ueda, and Masayuki Yoshikawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . (8R)-8-hydroxypatchoulol C15H26O2 相似度:60% 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 -------------------------------------------------------------------------------- 12 . (+)-(4R,5S,7R)-13-Hydroxynootkatone 相似度:60% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . (+)-(4R,5S,7R,9R,11S)-11,12-Epoxy-9α-hydroxynootkatone C15H22O3 相似度:60% Bioorganic & Medicinal Chemistry 2011 19 2464-2469 Microbial transformation of (+)-nootkatone and the antiproliferative activity of its metabolites Anna Gliszczyńska, Agnieszka Łysek, Tomasz Janeczko, Marta Świtalska,Joanna Wietrzyk, Czesław Wawrzeńczyk Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . β-corymbolol 相似度:60% Phytochemistry 1988 27 179-181 Isolation of α-corymbolol,an eudesmane sesquiterpene diol from Cyperus articulatus B. Nyasse,R.Ghogomu tih,B.L. Sondengam,M.T. Martin,B. Bodo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . 8-oxoeremophil-6-en-12-oic acid C15H22O3 相似度:60% Heterocycles 2005 65 887-891 Eremopetasitenin A3 and 8-Oxoeremophil-6-en-12-oic Acid from Petasites japonicus ssp. giganteus Motoo Tori,* Moeko Kume, Katsuyuki Nakashima, Masakazu Sono, and Masami Tanaka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . (1R,2S,4aS,8aS)-Decahydro-2,5,5,8a-tetramethylnaphthalene-1,2-diol C14H26O2 相似度:60% Chemistry & Biodiversity 2010 7 421-439 Bioactive Compounds with Added Value Prepared from Terpenes Contained in Solid Wastes from the Olive Oil Industry Andres Parra, Pilar E. Lopez and Andres Garcia-Granados Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . germacrene alcohol 相似度:60% Journal of the Korean Chemical Society 1995 39 559-563 A Study on the Chemical Constituents from Marine Sponge Luffariella sp. Sun Ku Park*, Sung Soo Kim, Jun Dae Park, Jung Sun Hong, In Kyu Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . swartzianin A C15H24 相似度:60% Tetrahedron 1996 52 6339-6354 Novel sesquiterpenoids from the Colombian liverwort Porella swartziana Motoo Tori, Katsuyuki Nakashima, Tomoko Takeda, Yukiko Kan, Shigeru Takaoka, Yoshinori Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . swartzianin A C15H24 相似度:60% Tetrahedron 1996 52 6339-6354 Novel sesquiterpenoids from the Colombian liverwort Porella swartziana Motoo Tori, Katsuyuki Nakashima, Tomoko Takeda, Yukiko Kan, Shigeru Takaoka, Yoshinori Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 3α,8α-Dihydroxypathoulol C15H26O3 相似度:60% Helvetica Chimica Acta 2011 94 218-223 New Patchoulol-Type Sesquiterpenoids from Pogostemon cablin Lei Zhou, Min Xu, Chong-Ren Yang, Yi-Fei Wang and Ying-Jun Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . 7-Dehydroxy-5,9-dioxo-α-bisabolol C15H22O2 相似度:60% Planta Medica 2011 77 742-748 Mono-and Sesquiterpenoids, Flavonoids, Lignans, and Other Miscellaneous Compounds of Abies georgei Xian-Wen Yang, Yong-Li Li, Su-Mei Li, Yun-Heng Shen, Jun-Mian Tian, Zhi-Jun Zhu, Lin Feng, LiangWu, Sheng Lin, NingWang, Yonghong Liu, Wei-Dong Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 10ξ-Acetoxyhumula-3,7-diene 相似度:58.8% Natural Product Communications 2006 1 601-607 A Sesquiterpene, Clerodane Diterpenes and a Furanone fromthe Roots of Casearia multinervosa (Flacourtiaceae/Salicaceae) Ashik Mosaddik and Peter G. Waterman Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . 15α-Hydroxy-17a-oxa-D-homo-androst-4-ene-3,17-dione 相似度:57.8% Steroids 2010 75 1039-1046 Biotransformation of dehydroepiandrosterone (DHEA) with Penicillium griseopurpureum Smith and Penicillium glabrum (Wehmer) Westling Li-Hua Huang, Juan Li, Gong Xu, Xiang-Hua Zhang, Yang-Guang Wang, Ye-Lin Yin, Hong-Min Liu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . pestalotiopsin A C18H28O6 相似度:55.5% The Journal of Organic Chemistry 1996 61 2122-2124 Pestalotiopsins A and B: New Caryophyllenes from an Endophytic Fungus of Taxus brevifolia Maurizio Pulici, Fumio Sugawara, Hiroyuki Koshino, Jun Uzawa, and Shigeo Yoshida, Emil Lobkovsky and Jon Clardy Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 19-acetoxy-2α,7α-dihydroxylabda-14,15-dinorlabd-8(17)-en-13-one C20H32O5 相似度:55% Journal of Natural Products 1999 62 45-50 Novel Labdane Diterpenes from the Insecticidal Plant Hyptis spicigera1 Mabel Fragoso-Serrano, Emma González-Chimeo, and Rogelio Pereda-Miranda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . 6β,17β-Dihydroxy-17α-methylandrost-4-en-3-one 相似度:55% Phytochemistry 1996 42 411-415 The hydroxylation of testosterone and some relatives by Cephalosporium aphidicola James R. Hanson, Habib Nasir, Aslam Parvez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . ent-13-epi-manool 相似度:55% Phytochemistry 1996 42 93-96 Sesqui- and di-terpenoids from the liverwort Jungermannia vulcanicola Fumihiro Nagashima, Hironao Tanaka, Yoshinori Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . compound 1b 相似度:55% Journal of Natural Products 1984 Vol 47 592-599 Cmr Spectroscopy of Labdanic Diterpenes and Related Substances Josette Bastard, Do Khac Duc, Marcel Fetizon, Malcolm J. Francis, Peter K. Grant, Rex T. Weavers, Chikara Kaneko, G. Vernon Baddeley, Jean-Marie Bernassau, Ivor R. Burfitt, Peter M. Wovkulich, Ernest Wenkert Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . labd-8(17),14-dien-13-ol 相似度:55% Chinese Journal of Natural Medicines 2010 8 405-410 Terpenoids from Stems and Leaves of Cupressus gigantea LIU Chun-Mei; ZHOU Hui-Bin; ZHANG Wei-Dong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . epi-manool C20H34O 相似度:55% Tetrahedron 2001 57 5663-5679 The synthesis of Ambrox®-like compounds starting from (+)-larixol Marjon G Bolster, Ben J.M Jansen, Aede de Groot Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . schisanwilsonene C C15H24O2 相似度:53.3% Journal of Natural Products 2009 72 676-678 Schisanwilsonenes A-C, Anti-HBV Carotane Sesquiterpenoids from the Fruits of Schisandra wilsoniana Wen-Hui Ma, Hai Huang, Pei Zhou, and Dao-Feng Chen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . isokhusinodiol C15H26O2 相似度:53.3% Chemical & Pharmaceutical Bulletin 2003 51(8) 986-989 Cadinane-Type Sesquiterpenes from the Roots of Taiwania cryptomerioides HAYATA Yueh-Hsiung KUO, Chiou-Fung CHYU, and Hsiu-Chuan LIN Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . widdrol 相似度:53.3% Phytochemistry 2007 68 2409-2414 Sesquiterpenes from the wood of Juniperus lucayana Yarelis Ortíz Nuñez, Iraida Spengler Salabarria, Isidro G. Collado,Rosario Hernández-Galán Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (-)-7-epi-eremophila-1(10),8,11-triene C15H22 相似度:53.3% Phytochemistry 2002 61 79-91 Volatile components from European liverworts Marsupella emarginata, M. aquatica and M. alpina Adewale Martins Adio, Claudia Paua, Wilfried A. König, Hermann Muhle Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . anthecotulide 相似度:53.3% Journal of Natural Products 2005 68 432-434 Anthecotulide: Purification, Analytical Data, Absence from Chamomile Preparations, Stability and Reactivity, and Anti-infective Testing Achim Meyer, Stefan Zimmermann, Bernd Hempel, and Peter Imming Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . 5α,7α,10βH-4(14)-patchoulen-2α-ol C15H24O 相似度:53.3% Journal of Natural Products 2004 67 914-917 Three New Sesquiterpenes from Croton arboreous A. Berenice Aguilar-Guadarrama, and Mara Yolanda Rios Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . (1R,6R,7S,10R)-10-Hydroxy-4(5)-cadinen-3-one C15H24O2 相似度:53.3% Journal of Natural Products 2004 67 799-805 Isolation of a Library of Aromadendranes from Landolphia dulcis and Its Characterization Using the VolSurf Approach Brian Skole, Flemming S. Jrgensen, Bogdan A. Budnik, Patrick Ekpe, and Jerzy W. Jaroszewski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . trichotomol 相似度:53.3% Journal of Natural Products 2007 70 304-306 Amorphane Sesquiterpenes from a Marine Streptomyces sp Shao Jie Wu,Serge Fotso, Fuchao Li, Song Qin, and Hartmut Laatsch Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . muurola-4,10(14)-dien-3-one C15H22O 相似度:53.3% Journal of Natural Products 2002 65 25-28 Five New Cadinane-Type Sesquiterpenes from the Heartwood of Chamaecyparis obtusa var. formosana Yueh-Hsiung Kuo, Chia-Hsien Chen,Shih-Chang Chien, and Yun-Lian Lin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . compound 2 相似度:53.3% Journal of Natural Products 2002 65 1319-1322 African Elephant Sesquiterpenes. II. Identification and Synthesis of New Derivatives of 2,3-Dihydrofarnesol Thomas E. Goodwin,Felisia D. Brown, Richard W. Counts, Nichole C. Dowdy, Patrick L. Fraley,Randall A. Hughes, Daniel Z. Liu, Courtney D. Mashburn, Josh D. Rankin, Russell S. Roberson, Katie D. Wooley, Elizabeth L. Rasmussen, Scott W. Riddle, Heidi S. Ridd Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . compound 3 相似度:53.3% Journal of Natural Products 2002 65 1319-1322 African Elephant Sesquiterpenes. II. Identification and Synthesis of New Derivatives of 2,3-Dihydrofarnesol Thomas E. Goodwin,Felisia D. Brown, Richard W. Counts, Nichole C. Dowdy, Patrick L. Fraley,Randall A. Hughes, Daniel Z. Liu, Courtney D. Mashburn, Josh D. Rankin, Russell S. Roberson, Katie D. Wooley, Elizabeth L. Rasmussen, Scott W. Riddle, Heidi S. Ridd Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . oxyphyllol B C15H22O2 相似度:53.3% Journal of Natural Products 2002 65 1468-1474 Absolute Stereostructures of Three New Sesquiterpenes from the Fruit of Alpinia oxyphylla with Inhibitory Effects on Nitric Oxide Production and Degranulation in RBL-2H3 Cells1 Toshio Morikawa, Hisashi Matsuda, Iwao Toguchida, Kazuho Ueda, and Masayuki Yoshikawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . 2,6,10-trimethyl-2-undecen-6-ol C14H28O 相似度:53.3% Journal of Natural Products 1999 62 214-218 Nuapapuin A and Sigmosceptrellins D and E: New Norterpene Cyclic Peroxides from a Southern Australian Marine Sponge, Sigmosceptrella sp. Simon P. B. Ovenden and Robert J. Capon Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . 10α-hydroxycadinan-4-en-3-one 相似度:53.3% Journal of Natural Products 1997 60 38-40 Bioactive Compounds from Taiwania cryptomerioides Kan He, Lu Zeng, Guoen Shi, Geng-Xian Zhao, John F. Kozlowski, and Jerry L. McLaughlin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . 9α-hydroxycumambrin A C17H22O6 相似度:53.3% Journal of Natural Products 1997 60 1222-1228 Highly Oxygenated Guaianolides from Anthemis carpatica V. Bulatovic, V. Vajs, S. Macura, N. Juranic, and S. Milosavljevic Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . dilatanolide A C15H22O2 相似度:53.3% Chemical & Pharmaceutical Bulletin 1994 42 1370-1372 NEW REARRANGED ENT-EUDESMANE- AND ENT-EREMOPHILANE-TYPE SESQUITERPENE LACTONES FROM THE LIVER WORT FRULLANIA DILATATA (L.) DUM. VAR. ANOMALA CORB. Fumihiro NAGASHIMA,Shigeru TAKAOKA,Yoshinori ASAKAWA and Siegfried HUNECK Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . bisacurone B C15H22O2 相似度:53.3% Chemical & Pharmaceutical Bulletin 1990 38 261-263 NEW BISABOLANE SESQUITERPENOIDS FROM THE RHIZOMES OF CURCUMA XANTHORHIZA (ZINGIBERACEAE) II Shin-ichi UEHARA,Ichiro YASUDA,Koichi TAKEYA,Hideji ITOKAWA and Yoichi IITAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . ⊿9(10)-eremophilen-11-ol C15H24 相似度:53.3% Chemical & Pharmaceutical Bulletin 1985 33 1148-1153 Agarofuran-, Eudesmane-and Eremophilane-Type Sesquiterpenoids from Alpinia japonica (THUNB.) MIQ. HIDEJI ITOKAWA,HIROSHI MORITA,KINZO WATANABE,SUSUMU MIHASHI and YOICHI IITAKA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . nephthenol C15H26O 相似度:53.3% Chemical & Pharmaceutical Bulletin 1987 35 124-135 Marine Natural Products. XVII. Nephtheoxydiol, a New Cytotoxic Hydroperoxy-Germacrane Sesquiterpene, and Related Sesquiterpenoids from an Okinawan Soft Coral of Nephthea sp. (Nephtheidae) ISAO KITAGAWA,ZHENG CUI,BYENG WHA SON,MOTOMASA KOBAYASHI and YOSHIMASA KYOGOKU Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . Isoalantolactone 相似度:53.3% Chemistry of Natural Compounds 2006 42 400-406 ACIDIC ISOMERIZATION OF ALANTOLACTONE DERIVATIVES S. G. Klochkov, S. V. Afanas'eva, and A. N. Pushin Structure 13C NMR 碳谱模拟图 |
2楼2012-06-14 13:25:01
kaola0916
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laiyin_1113楼2012-06-14 13:26:10
laiyin_111
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4楼2012-06-14 18:14:49
kaola0916
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5楼2012-06-14 21:00:47