basic_info |
|
| Product_Name: | ADYNERIGENIN BETA-NERITRIOSIDE |
| CAS: | 88721-09-9 |
| EnglishSynonyms: | ADYNERIGENIN BETA-NERITRIOSIDE |
| pro_mdlNumber: | MFCD22417286 |
| pro_acceptors: | 17 |
| pro_donors: | 7 |
| pro_smile: | C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@]45[C@@H]3CC[C@]6([C@]4(O5)CC[C@@H]6C7=CC(=O)OC7)C)C)OC)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O |
| InChi: | InChI=1S/C42H64O17/c1-19-36(58-38-35(50)33(48)31(46)26(57-38)18-53-37-34(49)32(47)30(45)25(16-43)56-37)24(51-4)15-29(54-19)55-22-6-9-39(2)21(14-22)5-11-41-27(39)8-10-40(3)23(7-12-42(40,41)59-41)20-13-28(44)52-17-20/h13,19,21-27,29-38,43,45-50H,5-12,14-18H2,1-4H3/t19-,21-,22+,23-,24-,25-,26-,27-,29+,30-,31-,32+,33+,34-,35-,36+,37-,38+,39+,40-,41+,42-/m1/s1 |
| InChiKey: | InChIKey=FHDXJOXIIORNFS-HRQGBTQPSA-N |
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