Analyte Name

Heptakis(6-bromo-6-deoxy)-beta-cyclodextrin

CAS Number

53784-83-1

Molecular Formula

C42H63Br7O28

Molecular Weight

1575.27

Accurate Mass

1567.78

SMILES

BrC[C@@H](O[C@@](O[C@]1([H])[C@@H](CBr)O[C@@](O[C@]2([H])[C@H](O[C@@](O3)([H])[C@H](O)[C@H]2O)CBr)([H])[C@H](O)[C@H]1O)([H])[C@H](O)[C@H]4O)[C@@]4([H])O[C@@]5([H])O[C@H](CBr)[C@](O[C@]6([H])[C@H](O)[C@@H](O)[C@@](O[C@@]7([H])O[C@H](CBr)[C@](O[C@@]8([H])O[C@H](CBr)[C@]3([H])[C@H](O)[C@H]8O)([H])[C@H](O)[C@H]7O)([H])[C@@H](CBr)O6)([H])[C@H](O)[C@H]5O

InChI

InChI=1S/C42H63Br7O28/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/h8-42,50-63H,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-/m1/s1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat