basic_info |
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Product_Name: | 齐墩果酸 3-乙酸酯 |
CAS: | 4339-72-4 |
中文同义词: | 齐墩果酸 3-乙酸酯 ; 1,4,5-三氯萘 |
EnglishSynonyms: | OLEANOLIC ACID 3BETA-ACETATE ; OLEANOLIC ACID 3-ACETATE ; (3BETA)-3-(ACETYLOXY)-OLEAN-12-EN-28-OIC ACID ; 3-ACETYLOXY-(3BETA)-OLEAN-12-EN-28-OIC ACID ; 3-O-ACETYLOLEANOLIC ACID |
pro_mdlNumber: | MFCD09752429 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)C |
InChi: | InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25-,29-,30+,31+,32-/m0/s1 |
InChiKey: | InChIKey=RIXNFYQZWDGQAE-DFHVBEEKSA-N |
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