basic_info |
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Product_Name: | 知母皂苷B |
CAS: | 139051-27-7 |
中文同义词: | 知母皂苷B ; N-(1-甲基环己基)-2-吗啉-4-基-乙酰胺盐酸 |
EnglishSynonyms: | ANEMARSAPONIN B |
pro_mdlNumber: | MFCD20133906 |
pro_acceptors: | 18 |
pro_donors: | 11 |
pro_smile: | CC1=C(O[C@@H]2[C@H]1[C@]3(CC[C@H]4[C@H]([C@@H]3C2)CC[C@H]5[C@@]4(CC[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)CCC(C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O |
InChi: | InChI=1S/C45H74O18/c1-19(18-57-41-38(55)35(52)32(49)28(15-46)60-41)5-8-26-20(2)31-27(59-26)14-25-23-7-6-21-13-22(9-11-44(21,3)24(23)10-12-45(25,31)4)58-43-40(37(54)34(51)30(17-48)62-43)63-42-39(56)36(53)33(50)29(16-47)61-42/h19,21-25,27-43,46-56H,5-18H2,1-4H3/t19?,21-,22+,23-,24+,25+,27+,28-,29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+/m1/s1 |
InChiKey: | InChIKey=ROHLIYKWVMBBFX-JOJGKSKXSA-N |
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