Octakis-(6-bromo-6-deoxy)-Gamma-cyclodextrin-d24

Analyte Name

Octakis-(6-bromo-6-deoxy)-gamma-cyclodextrin-d24

Molecular Formula

C48 D24 H48 Br8 O32

Molecular Weight

1824.446

Accurate Mass

1815.898

SMILES

[2H]C([2H])(Br)[C@H]1O[C@@H]2O[C@H]3[C@H](O)[C@]([2H])(O)[C@@H](O[C@H]4C(O)[C@@]([2H])(O)[C@@H](O[C@H]5[C@H](O)[C@@]([2H])(O)C(O[C@H]6[C@H](O)[C@@]([2H])(O)[C@@H](O[C@H]7[C@H](O)[C@@]([2H])(O)[C@@H](O[C@H]8C(O)[C@]([2H])(O)[C@@H](O[C@H]9[C@H](O)[C@]([2H])(O)[C@@H](O[C@H]1[C@H](O)[C@]2([2H])O)O[C@@H]9C([2H])([2H])Br)O[C@@H]8C([2H])([2H])Br)O[C@@H]7C([2H])([2H])Br)O[C@@H]6C([2H])([2H])Br)O[C@@H]5C([2H])([2H])Br)O[C@@H]4C([2H])([2H])Br)O[C@@H]3C([2H])([2H])Br

InChI

InChI=1S/C48H72Br8O32/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64)87-39-15(7-55)78-46(30(70)22(39)62)85-37-13(5-53)76-44(28(68)20(37)60)83-35-11(3-51)74-42(81-33)26(66)18(35)58/h9-48,57-72H,1-8H2/t9-,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?,43-,44-,45-,46-,47-,48-/m1/s1/i1D2,2D2,3D2,4D2,5D2,6D2,7D2,8D2,25D,26D,27D,28D,29D,30D,31D,32D

IUPAC

(1S,3S,5S,6S,8S,10S,11S,13S,15S,16S,18S,20S,21S,25S,26S,28S,30S,31S,33S,35S,36S,38S,40S,41R,42S,43R,44S,46R,47R,48R,49R,50R,51R,52R,54S,55R,56S)-5,10,15,20,25,30,35,40-octakis[bromo(dideuterio)methyl]-42,44,46,48,50,52,54,56-octadeuterio-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol

Unlabelled CAS Number

53784-84-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat