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[求助]
求助微谱化合物C谱数据
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CDCL3: 12.04,12.23,18.97,21.20,24.36,25.39,28.90,29.69,32.41,39.69,40.47,42.22,51.23,55.97,56.87,129.28,138.30 |
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2楼2012-06-17 17:29:02
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
xiaoxiao270: 金币+2, 3Q 2012-06-17 17:42:56
wei537113: 金币+15 2012-06-18 13:01:16
感谢参与，应助指数 +1
xiaoxiao270: 金币+2, 3Q 2012-06-17 17:42:56
wei537113: 金币+15 2012-06-18 13:01:16
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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 12.04,12.23,18.97,21.20,24.36,25.39,28.90,29.69,32.41,39.69,40.47,42.22,51.23,55.97,56.87,129.28,138.30 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434个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . (22R,23R)-22,23-dihydroxy-3α-fluorostigmastan-6-one 相似度:68.4% Phytochemistry 2001 58 973-980 Synthesis and bioactivity of natural and C-3 fluorinated biosynthetic precursors of 28-homobrassinolide Lydia R. Galagovsky, Eduardo G. Gros, Javier A. Ramírez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . compound 15a 相似度:64.7% Tetrahedron Letters 2002 43 3181-3184 Toward a total synthesis of brassinosteroids; stereoselective generation of the hydrindane ring system O. Temmem, T. Zoller, D. Uguen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . (20S)-des-A,B-cholestan-8β-yl nitrite 相似度:64.7% Bioorganic & Medicinal Chemistry 2009 17 7658-7669 Removal of the 20-methyl group from 2-methylene-19-nor-(20S)-1α,25-dihydroxyvitamin D3 (2MD) selectively eliminates bone calcium mobilization activity Rafal Barycki, Rafal R. Sicinski, Lori A. Plum, Pawel Grzywacz, Margaret Clagett-Dame, Hector F. DeLuca Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . stigmast-22-en-3β,6β,9α-triol C29H50O3 相似度:63.6% Phytochemical Analysis 2004 15 125-129 Steroids and triterpenes from Eleocharis acutangula and E. sellowiana (cyperaceae) Maria do Carmo E. Amaral, Aparecida D. Faria, Aderbal F. Magalhães, Eva G. Magalhães and Ana Lúcia T. G. Ruiz Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . sophorine C19H24N203 相似度:63.1% Chemistry of Natural Compounds 1996 32 737-858 ALKALOIDS. PLANTS, STRUCTURES, PROPERTIES" Chapter 2, continued R. Shakirov, M. V. Telezhenetskaya, I. A. Bessonova,S. F. Aripova, I. A. Israilov, M. N. Sultankhodzhaev,V. I. Vinogradova, V. I. Akhmedzhanova, T. S. Tulyaganov,B. T. Salimov, and V. A. Tel'nov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . sophorine 相似度:63.1% Chemistry of Natural Compounds 1981 17 439-442 AN INVESTIGATION THE NMR METHOD OF THE STRUCTURE OF THE ALKALOID SOPHORINE FROM Sophora alopecuroides F. G. Kamaev, S. Kuchkarov,Yu. K. Kushmuradov, and Kh. A. Aslanov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 17β-hydroxy-4-androsteno[2,3-d]-3'-methylthioisoxazole 相似度:61.9% Indian Journal of Chemistry 2006 45B 959-966 A facile synthesis of steroidal pyrazoles,isoxazoles and pyrimidines from testosterone Singh,Ch Brajakishor; Singh,L Warjeet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . 2α,3β-dihydroxy-lup-20 (29)-en-28-oic acid methyl ester C31H50O4 相似度:61.1% Chinese Traditional and Herbal Drugs 2006 37 168-171 A novel lupane triterpene from seeds of Ziziphus jujuba var.spinosa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . ent-trachyloban-19-oic acid C20H28O4 相似度:60% Helvetica Chimica Acta 2009 92 2783-2789 Three New ent-Trachylobane Diterpenoids from Co-cultures of the Calli of Trewia nudiflora and Fusarium sp. WXE Xin Wu, Chun-Hua Lu, Yue-Mao Shen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . communic acid 相似度:60% Food Chemistry 2011 124 527-532 Labdane diterpenes in Curcuma mangga rhizomes inhibit lipid peroxidation, cyclooxygenase enzymes and human tumour cell proliferation Yunbao Liu, Muraleedharan G. Nair Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . 4,5-epi-10-isothiocyanatoisodauc-6-ene C16H25NS 相似度:58.8% Helvetica Chimica Acta 2008 Vol. 91 1553 New N-Containing Sesquiterpenes from Hainan Marine Sponge Axinyssa sp. Zhen-Yu Li, Zhi-Guo Yu, and Yue-Wei Guo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . compound 4 C16H22NCl3 相似度:58.8% Journal of Natural Products 2001 64 111-113 New Sesquiterpene Carbonimidic Dichlorides and Related Compounds from the Sponge Stylotella aurantium Musri Musman, Junichi Tanaka, and Tatsuo Higa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . 6, 15α-epoxy-1β, 4β-dihydroxyeudesmane C15H26O3 相似度:58.8% Acta Botanica Yunnanica 2003 25(6) 711-715 A New Lignan Glycoside from Curculigo capitulata LI Ning,TAN Ning-Hua,ZHOU Jun Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . Stigmasterol C29H48O 相似度:58.8% Chemistry of Natural Compounds 2007 43 110-111 TERPENOIDS AND TRIYNEPOXIDE FROM THE AERIAL PART OF Rhantherium adpressum M. Bouheroum, S. Benayache, F. Benayache,L. Zaiter, J. M. Barrera, and L. Francisco Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . (-)-sophoridine C15H24N2O 相似度:58.8% Chemistry of Natural Compounds 1996 32 737-858 ALKALOIDS. PLANTS, STRUCTURES, PROPERTIES" Chapter 2, continued R. Shakirov, M. V. Telezhenetskaya, I. A. Bessonova,S. F. Aripova, I. A. Israilov, M. N. Sultankhodzhaev,V. I. Vinogradova, V. I. Akhmedzhanova, T. S. Tulyaganov,B. T. Salimov, and V. A. Tel'nov Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 1β,4β,6α,15-tctrahydroxycudesmane C15H28O4 相似度:58.8% Chinese Chemical Letters 1996 7 913-914 NEW SESQUITERPENE FROM SENECIO FLAMMEUS JIN FENG HU,SU PING BAI AND ZHONG JIAN JIA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . 6α,15α-Epoxy-1β,4β-dihydroxyeudesmane C15H26O3 相似度:58.8% Journal of Asian Natural Products Research 2005 7 279-282 Capitulatin B, A new eudesmane derivative from Curculigo capitulata, and revised assignment of 13C NMR data of 6a,15a-epoxy-1b,4b-dihydroxyeudesmane NING LI, JI-JUN CHEN and JUN ZHOU Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . compound 4 C15H24O2 相似度:58.8% Phytochemistry 1999 51 281-287 A 7-nordumortenone and other dumortane derivatives from the Argentine liverwort Dumortiera hirsuta Alicia Bardon, Norma Kamiya, Masao Toyota, Yoshinori Asakawa Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . 8-hydroxyl-pathouli alcohol 相似度:58.8% Phytochemistry 1995 39 713-714 Sesquiterpenoids from Valeriana fauriei Koichi Nishiya, Tsuyoshi Tsyjiyama, Takefumi Kimura, Koichi Takeya, Hideji Itokawa, Yoichi Iitaka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . 11-hydroxy-4-amorphen-15-oic acid C15H24O3 相似度:58.8% Phytochemistry 1994 35 425-433 The sesquiterpenes of Fabiana imbricata Geoffrey D. Brown Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . fabiaimbricatan C15H24O3 相似度:58.8% Phytochemistry 1994 36 1439-1442 Sesquiterpenes from Fabiana imbricata Guillermo Schmeda-Hirschmann, Fani Papastergiou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . 6,15α-eopxy-1β,4β-dihydroxyeudesmane C15H26O3 相似度:58.8% Phytochemistry 1988 27 3187-3196 Terpenoids from Ageratina saltillensis Nianbai Fang,Sanggong Yu,Tom J. Mabry,Khalil A. Abboud,Stanley H. Simonsen Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . Tanacetol B 相似度:58.8% Phytochemistry 1983 22 509-512 Tanacetols A and B, non-volatile sesquiterpene alcohols, from Tanacetum vulgare Giovanni Appendino, Pierluigi Gariboldi, Gian Mario Nano Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . (1S,2R,5R)-2-(1-Methyl-1-phenylethyl)-5-methylcyclohexanol 相似度:58.8% Tetrahedron Letters 2001 42 5239-5240 A new, convenient synthesis of the chiral auxiliary (+)-8-phenylisomenthol Franco Fernández, Xerardo Garcı́a-Mera, José Enrique Rodrı́guez-Borges, José Manuel Blanco Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . 7-Methoxy-2-[N-(2-aminoethyl)-N-n-propylamino]tetralin oxalate 相似度:58.8% Bioorganic & Medicinal Chemistry 1998 6 2111-2126 2-Aminotetralin-derived substituted benzamides with mixed dopamine D2, D3, and serotonin 5-HT1A receptor binding properties: A novel class of potential atypical antipsychotic agents Evert J. Homan, Swier Copinga, Lotta Elfström, Trees van der Veen, Jan-Pieter Hallema, Nina Mohell, Lena Unelius, Rolf Johansson, Håkan V. Wikström, Cor J. Grol Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . (3ξ,4E,6ξ)-1-acetoxy-3-hydroxy-6-isopropyl-3-methyl-4-decen-9-one 相似度:58.8% Acta Chemica Scandinavica 1980 34 675-683 Tobacco Chemistry. 51. New Cembranic Diterpenoids from Greek Tobacco. Behr, Dan; Wahlberg, Inger; Nishida, Toshiaki; Enzell, Curt R.; Berg, Jan-Erik; Pilotti, Anne-Marie Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . (6S)-(E)-methyl 3-hydroxy-6-isopropyl-3-methyl-9-oxodec-4-enoate 相似度:58.8% Acta Chemica Scandinavica 1990 44 504-512 Tobacco Chemistry. 72. Five New Cembratrienetriols from Tobacco. Olsson, Elisabeth; Eklund, Ann-Marie; Wahlberg, Inger Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . grandisine B C16H22N2O 相似度:58.8% The Journal of Organic Chemistry 2005 70 1889-1892 Grandisine A and B, Novel Indolizidine Alkaloids with Human δ-Opioid Receptor Binding Affinity from the Leaves of the Australian Rainforest Tree Elaeocarpus grandis Anthony R. Carroll, Garrie Arumugan, Ronald J. Quinn, Joanne Redburn, Gordon Guymer, and Paul Grimshaw Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . 15-nor-muurol-5-en-4α-ol 相似度:58.8% Tetrahedron 1999 55 15109-15126 Autoxidation of 4-amorphen-11-ol and the biogenesis of nor- and seco-amorphane sesquiterpenes from fabiana imbricata Koon-Sin Ngo, Geoffrey D. Brown Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . (3S,3aS,7R,9aS)-N-(1,1,7-trimethyldecahydro-3a,7-methanocyclopentacyclo-oct-3-yl)acetamide C17H29NO 相似度:58.8% Russian Journal of Organic Chemistry 2004 40 1593-1598 Reactions of caryophyllene, isocaryophyllene, and their epoxy derivatives with acetonitrile under ritter reaction conditions O. I. Yarovaya, D. V. Korchagina, T. V. Rybalova, Yu. V. Gatilov and M. P. Polovinka, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . (22R,23R)-22,23-dihydroxy-3β-fluorostigmastan-6-one 相似度:57.8% Phytochemistry 2001 58 973-980 Synthesis and bioactivity of natural and C-3 fluorinated biosynthetic precursors of 28-homobrassinolide Lydia R. Galagovsky, Eduardo G. Gros, Javier A. Ramírez Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . 13-Oxo-14,15-dinorlabd-8(17)-en-19-oic acid methyl ester 相似度:57.8% Phytochemistry 1996 41 255-261 Diterpenoids from leaves of Cryptomeria japonica Wen-Chiung Su, Jim-Min Fang, Yu-Shia Cheng Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . 16-acetoxycarterochaetol 相似度:57.8% Phytochemistry 1985 24 2645-2654 Cycloartanes from Lindheimera texana Werner Herz, Kinzo Watanabe, Palaniappan Kulanthaivel, John F. Blount Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . 5α-Androstan-17β-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 -------------------------------------------------------------------------------- 35 . 5α-Androstan-17β-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 -------------------------------------------------------------------------------- 36 . Cholest-5-en-3β-ol cholesterol C27H46O 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 . 5-cholestan-3-one 相似度:57.1% Acta Pharmaceutica Sinica 1993 28 684-689 STUDIDS ON THE CHEMICAL CONSTITUENTS OF EUONYMUS MUPINENSIS XL Yah; SX Liao; HQ Liang and P Zhou Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . 5β-cholestan-3β-ol 相似度:57.1% Journal of Natural Products 1991 Vol 54 1651 Verrucoside, a New Cytotoxic Pregnane Glycoside from a Gorgonian Eunicella verrucosa Y. Kashman, D. Green, C. Garcia, D. Garcia Arevalos Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . 17β-hydroxy-4-androsteno[3,2-c]-[1']-5'-methylthiopyrazole 相似度:57.1% Indian Journal of Chemistry 2006 45B 959-966 A facile synthesis of steroidal pyrazoles,isoxazoles and pyrimidines from testosterone Singh,Ch Brajakishor; Singh,L Warjeet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 14,15-dinorlabd-8(17)-en-13-on-19-oic acid C18H28O3 相似度:55.5% Journal of Natural Products 1998 61 922-926 Microbial Transformations of Isocupressic Acid Shwu-Jiuan Lin and John P. N. Rosazza Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 14,15-dinor-13-oxo-8(17)-labden-19-oic acid C18H28O3 相似度:55.5% Phytochemistry 2009 70 1262-1271 Terpenes with antimicrobial activity from Cretan propolis Milena P. Popova , Ioanna B. Chinou , Ilko N. Marekov , Vassya S. Bankova Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . 12-Methoxypodocarpa-8,11,13-triene C18H26O 相似度:55.5% Chemistry of Natural Compounds 2005 41 315-321 SYNTHESIS OF TRINORDITERPENOID DERIVATIVES AND EVALUATION OF ANTIMICROBIAL AND CYTOTOXIC ACTIVITY R. Alonso, H. Gomis, A. Taddei,and C. Sajo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . compound 14 相似度:55.5% 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 -------------------------------------------------------------------------------- 44 . withametelin C 相似度:55.5% Phytochemistry 1996 41 981-983 Withanolides from Datura tatula M. Manickam, S. B. Awasthi, A. Sinha-Bagchi, S. C. Sinha, A. B. Ray Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . Betulinic acid 相似度:55.5% Chinese Traditional and Herbal Drugs 2006 37 168-171 A novel lupane triterpene from seeds of Ziziphus jujuba var.spinosa HE Feng; PAN Qin); MIN Zhi-da Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . (+)-(4S,4aR,8aS)-4a,8,8-trimethyl-3-methylene-4-(3-oxobutyl)octahydro-1(2H)-naphthalenone C18H28O2 相似度:55.5% Tetrahedron 2001 57 8369-8379 The synthesis of Ambrox®-like compounds starting from (+)-larixol. Part 2 Marjon G Bolster, Béatrice M.F Lagnel, Ben J.M Jansen, Christophe Morin, Aede de Groot Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . 12-methoxy-8,11,13-podocarpatriene 相似度:55.5% Organic Magnetic Resonance 1977 9 203-209 Carbon-13 nuclear magnetic resonance spectra of some aromatic diterpenoids Toshiaki Nishida, Inger Wahlberg and Curt R. Enzell Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . ent-atisane-16α-ol 相似度:55% Chemical & Pharmaceutical Bulletin 2003 51(10) 1142-1146 Three Diterpenoids (Excoecarins V1—V3) and a Flavanone Glycoside from the Fresh Stem of Excoecaria agallocha Tenji KONISHI,Kiyonori YAMAZOE,Masahiro KANZATO,Takao KONOSHIMA,and Yasuhiro FUJIWARA Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . 15-methoxypinusolidic acid C21H30O5 相似度:55% Chemical & Pharmaceutical Bulletin 2002 50(6) 834-836 A New Neuroprotective Pinusolide Derivative from the Leaves of Biota orientalis Kyung Ah KOO, Sang Hyun SUNG, and Young Choong KIM Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . imbricataloic acid C20H32O3 相似度:55% Journal of Natural Products 1998 61 51-56 In Vitro Biotransformations of Isocupressic Acid by Cow Rumen Preparations:Formation of Agathic and Dihydroagathic Acids Shwu-Jiuan Lin, Robert E. Short, Stephen P. Ford, Elaine E. Grings, and John P. N. Rosazza Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- |
3楼2012-06-17 17:31:42