齐墩果酸 3-乙酸酯

pro_cas
4339-72-4
pro_cdbregno
CCD00783047
pro_formula
C32 H50 O4
pro_molWeight
498.743

basic_info

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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