α-Cyclodextrin(10016-20-3) IR2
Product Nameα-Cyclodextrin
CAS10016-20-3
Molecular FormulaC36H60O30
Molecular Weight972.84
InChIInChI=1/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)63-27-9(3-39)56-32(61-25)20(50)14(27)44/h7-54H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-/s3
InChIKey HFHDHCJBZVLPGP-PCVUTIMQNA-N
SmilesC([C@H]1O[C@]2([H])O[C@@]3([H])[C@@H]([C@@H](O)[C@@]([H])(O[C@@]4([H])[C@@H]([C@@H](O)[C@@]([H])(O[C@]5([H])[C@@H](CO)O[C@@]([H])([C@@H]([C@H]5O)O)O[C@]5([H])[C@@H](CO)O[C@@]([H])([C@@H]([C@H]5O)O)O[C@]5([H])[C@@H](CO)O[C@@]([H])([C@@H]([C@H]5O)O)O[C@@]1([H])[C@@H]([C@H]2O)O)O[C@@H]4CO)O)O[C@@H]3CO)O)O |&1:1,3,6,8,9,11,14,16,17,19,22,24,28,30,31,35,37,41,43,44,48,50,54,56,57,61,63,64,68,73,r|
