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1012caijuan新虫 (小有名气)
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[求助]
这个碳谱，貌似是胆甾烯酮式的东西，可又几个碳数对不上，五环三萜类是不？
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13C NMR (151 MHz, CDCl3) δ 140.85 (s), 121.66 (s), 71.82 (s), 60.32 (s), 56.87 (s), 56.21 (s), 50.28 (s), 45.99 (s), 42.40 (s), 39.88 (s), 37.35 (s), 36.57 (s), 36.17 (s), 34.08 (s), 31.99 (d, J = 7.3 Hz), 31.76 (s), 29.35 (s), 28.24 (s), 26.35 (s), 24.33 (s), 23.20 (s), 21.15 (s), 19.78 (s), 19.38 (s), 19.10 (s), 18.82 (s), 14.18 (s), 12.00 (s), 11.88 (s). 大侠，谁可以看看这个谱，你们觉得是上面哪一类啊？貌似是胆甾烯酮式的东西，可又几个碳数对不上，五环三萜类是不？求解 |
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wangkaibo123
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karl2100: 金币+1, 谢谢回复！ 2013-07-06 11:58:07
karl2100: 金币+1, 谢谢回复！ 2013-07-06 11:58:07
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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 溶剂选项： 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1138个化合物(查询结果仅供参考) 1 . (3β,5α,6β,22E)-ergosta-7,22-diene-3,5,6-triol 6-palmitate C44H76O4 相似度:70.7% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 2 . (3β,5α,6β,22E)-ergosta-7,22-diene-3,5,6-triol 6-stearate C46H80O4 相似度:70.7% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 3 . ergosta-7,11-dien-3β-yl palmitate C44H76O2 相似度:70.7% Phytochemistry 1990 29 673-675 A lanostanoid of formosan Ganoderma lucidum Chun-Nan Lin,Whey-Pin Tome,Shen-Jeu Won Structure 13C NMR 碳谱模拟图 4 . (24R)ergosta-7,22Ediene-3β,5α,6β-triol-3-O-palmitate 相似度:70.7% Archives of Pharmacal Research 2005 28 889-891 Antibacterial constituents from fruit bodies of Ascomyce Bulgaria inquinans Peng Zhang, Xian Li, Ning Li, Jing Xu and Zhan-Lin Li, et al. Structure 13C NMR 碳谱模拟图 5 . Stigmastanol-3β-p-butanoxydihydrocoumaroate C42H68O3 相似度:69.0% Phytochemical Analysis 2006 17 36-45 Chemical constituents of rice (Oryza sativa) hulls and their herbicidal activity against duckweed (Lemna paucicostata Hegelm 381) Ill Min Chung, Mohd Ali, Ateeque Ahmad, Jung Dae Lim, Chang Yeon Yu and Jin Seog Kim Structure 13C NMR 碳谱模拟图 6 . (3β,5α,6α,22E)-ergosta-7,22-diene-3,5,6-triol 6-palmitate C44H76O4 相似度:68.2% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 7 . (3β,5α,6α,22E)-ergosta-7,22-diene-3,5,6-triol 6-stearate C46H80O4 相似度:68.2% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 8 . ergosta-7,22-dien-3β-yl-palmitate 相似度:68.2% Chinese Pharmaceutical Journal 2010 45 413-415 A New Sterol from the Fruiting Bodies of Ganoderma sinense Zhao, Xu et Zhang LIU Chao, CHEN Ruo-yun Structure 13C NMR 碳谱模拟图 9 . (3β,5α,6β,22E)-ergosta-7,22-diene-3,5,6-triol 6-oleate 相似度:66.6% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 10 . (3β,5α,6β,22E)-ergosta-7,22-diene-3,5,6-triol 6-linoleate 相似度:66.6% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 11 . β-sitosteryl-3-O-β-D-glucopyranoside-2'-O-palmitate C51H90O7 相似度:66.6% Phytochemistry 2008 69 2627-2633 Non-cannabinoid constituents from a high potency Cannabis sativa variety Mohamed M. Radwan, Mahmoud A. ElSohly, Desmond Slade, Safwat A. Ahmed, Lisa Wilson,Abir T. El-Alfy, Ikhlas A. Khan, Samir A. Ross Structure 13C NMR 碳谱模拟图 12 . β-sitosterol-3-O-β-D-glucoside-6'-O-eicosanate 相似度:66.6% Chinese Traditional and Herbal Drugs 2002 33 6-8 New steroid glycoside derivatives from Stelmatocrypton khasianum New steroid glycoside derivatives from Stelmatocrypton khasianum Structure 13C NMR 碳谱模拟图 13 . ergosta-7,22-diene-3β-yl pentadecanoate C43H74O2 相似度:65.8% Phytochemistry 2006 67 202-211 Secondary metabolites from Ganoderma lucidum and Spongiporus leucomallellus Fernando Campos Ziegenbein , Hans-Peter Hanssen, Wilfried A. König Structure 13C NMR 碳谱模拟图 14 . 24-methylcycloartane-3β,24,241-triol C31H54O3 相似度:65.8% Journal of Natural Products 2006 69 604-607 Biotransformation of Cycloartane-Type Triterpenes by the Fungus Glomerella fusarioides Toshihiro Akihisa, Kenji Watanabe, Risa Yoneima, Takashi Suzuki, and Yumiko Kimura Structure 13C NMR 碳谱模拟图 15 . 5α,8α-epidioxy- 24-hydroperoxycholesta-6,28(29)-dien-3β-ol(a/b) C29H46O5 相似度:65.8% Journal of Natural Products 1999 62 152-154 A New Epidioxy Sterol as an Antifouling Substance from a Palauan Marine Sponge, Lendenfeldia chondrodes Yutaka Sera, Kyoko Adachi, and Yoshikazu Shizuri Structure 13C NMR 碳谱模拟图 16 . (3β,5α,6α,22E)-ergosta-7,22-diene-3,5,6-triol 6-oleate C46H78O4 相似度:64.4% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 17 . (3β,5α,6α,22E)-ergosta-7,22-diene-3,5,6-triol 6-linoleate C46H76O4 相似度:64.4% Helvetica Chimica Acta 2007 Vol. 90 1165 New Steryl Esters of Fatty Acids from the Mangrove Fungus Aspergillus awamori Hao Gao, Kui Hong, Xue Zhang, Hong-Wei Liu, Nai-Li Wang, Ling Zhuang, and Xin-Sheng Yao Structure 13C NMR 碳谱模拟图 18 . Sitosteryl oleate C47H82O2 相似度:63.6% Steroids 2008 73 1098-1109 Synthesis of highly pure oxyphytosterols and (oxy)phytosterol esters: Part II. (Oxy)-sitosterol esters derived from oleic acid and from 9,10-dihydroxystearic acid [1] Diane Julien-David, Philippe Geoffroy, Eric Marchioni, Françis Raul, Dalal Aoudé-Werner, Michel Miesch Structure 13C NMR 碳谱模拟图 19 . 4-Butyl-5-N-cyclohexylcarboxamido-4-aza-5β-cholestan-3-one C37H64N2O2 相似度:63.4% Steroids 2008 73 1270-1276 Synthesis of 4-azasteroids by an intramolecular Ugi reaction Fernando Alonso, Sofía L. Acebedo, Andrea C. Bruttomesso, Javier A. Ramírez Structure 13C NMR 碳谱模拟图 20 . 3α-(3'-butylcarboxyacetoxy)oxepanoquercinic acid C C38H60O8 相似度:63.4% Fitoterapia 2009 80 263-266 Antibacterial triterpenes from the threatened wood-decay fungus Fomitopsis rosea Milena Popova, Boryana Trusheva, Melania Gyosheva, Iva Tsvetkova, Vassya Bankova Structure 13C NMR 碳谱模拟图 21 . Mixture of 7-oxostigmast-5-en-3β-yl oleate and palmitate 相似度:63.4% Phytochemistry 1992 31 4263-4274 Cycloartanes and other terpenoids and phenylpropanoids from Monocyclanthus vignei Hans Achenbach, Dieter Frey Structure 13C NMR 碳谱模拟图 |
13楼2013-07-06 11:55:56
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