β-Cyclodextrin(7585-39-9) MS
Product Nameβ-Cyclodextrin
CAS7585-39-9
Molecular FormulaC42H70O35
Molecular Weight1134.99
InChIInChI=1/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,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-,37-,38-,39-,40-,41-,42-/s3
InChIKey WHGYBXFWUBPSRW-JXMPPWEANA-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]([C@@H](O)[C@@]([H])(O[C@]6([H])[C@@H](CO)O[C@@]([H])([C@@H]([C@H]6O)O)O[C@]6([H])[C@@H](CO)O[C@@]([H])([C@@H]([C@H]6O)O)O[C@]6([H])[C@@H](CO)O[C@@]([H])([C@@H]([C@H]6O)O)O[C@@]1([H])[C@@H]([C@H]2O)O)O[C@@H]5CO)O)O[C@@H]4CO)O)O[C@@H]3CO)O)O |&1:1,3,6,8,9,11,14,16,17,19,22,24,25,27,30,32,36,38,39,43,45,49,51,52,56,58,62,64,65,69,71,72,76,81,86,r|
