basic_info |
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Product_Name: | 白头翁皂苷A |
CAS: | 129724-84-1 |
中文同义词: | 白头翁皂苷A |
EnglishSynonyms: | ANEMOSIDE A3 ; PULCHINENOSIDE A |
pro_mdlNumber: | MFCD22572711 |
pro_acceptors: | 12 |
pro_donors: | 7 |
pro_smile: | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@@H]6[C@H]7[C@@H](CC[C@@]7(CC[C@]6([C@@]5(CC[C@H]4[C@]3(C)CO)C)C)C(=O)O)C(=C)C)C)O)O)O)O)O |
InChi: | InChI=1S/C41H66O12/c1-20(2)22-10-15-41(36(48)49)17-16-39(6)23(28(22)41)8-9-26-37(4)13-12-27(38(5,19-42)25(37)11-14-40(26,39)7)52-35-33(30(45)24(43)18-50-35)53-34-32(47)31(46)29(44)21(3)51-34/h21-35,42-47H,1,8-19H2,2-7H3,(H,48,49)/t21-,22+,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33-,34-,35+,37+,38+,39-,40-,41+/m1/s1 |
InChiKey: | InChIKey=ISNDTNDJSXYNKT-LBUQETCRSA-N |
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