basic_info |
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Product_Name: | 3-beta-羟基齐墩果酸苯甲酸酯 |
CAS: | 6153-31-7 |
中文同义词: | 3-beta-羟基齐墩果酸苯甲酸酯 |
EnglishSynonyms: | OLEANOLIC ACID BENZOATE |
pro_mdlNumber: | MFCD13194974 |
pro_acceptors: | 4 |
pro_donors: | 1 |
pro_smile: | CC1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)c6ccccc6)C)C)[C@@H]2C1)C)C(=O)O)C |
InChi: | InChI=1S/C37H52O4/c1-32(2)19-21-37(31(39)40)22-20-35(6)25(26(37)23-32)13-14-28-34(5)17-16-29(41-30(38)24-11-9-8-10-12-24)33(3,4)27(34)15-18-36(28,35)7/h8-13,26-29H,14-23H2,1-7H3,(H,39,40)/t26-,27-,28+,29-,34-,35+,36+,37-/m0/s1 |
InChiKey: | InChIKey=AFUJWZAKNFIQGK-RRLKWQEHSA-N |
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