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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 . 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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 |
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