basic_info |
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Product_Name: | 单-6-O-(对甲苯磺酰)-γ-环糊精 |
CAS: | 97227-33-3 |
中文同义词: | 单-6-O-(对甲苯磺酰)-γ-环糊精 ; 单-6-O-(对甲苯磺酰基)-γ-环糊精 ; 单-6-O-(对甲苯磺酰基)-γ-环糊精 |
EnglishSynonyms: | MONO-6-O-(P-TOLUENESULFONYL)-GAMMA-CYCLODEXTRIN |
pro_mdlNumber: | MFCD09038533 |
pro_acceptors: | 42 |
pro_donors: | 23 |
pro_smile: | Cc1ccc(cc1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@@H]([C@H]([C@H](O2)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@@H]([C@@H]([C@H]9O)O)O[C@@H]1[C@H](O[C@H](O3)[C@@H]([C@H]1O)O)CO)CO)CO)CO)CO)CO)CO)O)O |
InChi: | InChI=1S/C55H86O42S/c1-14-2-4-15(5-3-14)98(79,80)81-13-23-47-31(70)39(78)55(89-23)96-46-22(12-62)87-53(37(76)29(46)68)94-44-20(10-60)85-51(35(74)27(44)66)92-42-18(8-58)83-49(33(72)25(42)64)90-40-16(6-56)82-48(32(71)24(40)63)91-41-17(7-57)84-50(34(73)26(41)65)93-43-19(9-59)86-52(36(75)28(43)67)95-45-21(11-61)88-54(97-47)38(77)30(45)69/h2-5,16-78H,6-13H2,1H3/t16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m1/s1 |
InChiKey: | InChIKey=DSTZIMMHXKJUSO-CEUKPONPSA-N |
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