Analyte Name

gamma-Cyclodextrin Deuterated

Molecular Formula

C48H80O40 (Undeuterated)

Molecular Weight

1321.27

Accurate Mass

1320.57

SMILES

O[C@@]1([2H])[C@@H](O)[C@H](O[C@@H]2[C@](O)([2H])[C@@H](O)[C@H](O[C@@H]3[C@](O)([2H])C(O)[C@H](O[C@@H]4[C@@](O)([2H])[C@@H](O)[C@H](O[C@@H]5[C@@](O)([2H])[C@@H](O)[C@H](O6)[C@@H](C([2H])([2H])O)O5)[C@@H](C([2H])([2H])O)O4)[C@@H](C([2H])([2H])O)O3)[C@@H](C([2H])([2H])O)O2)[C@@H](C([2H])([2H])O)O[C@@H]1O[C@H]7[C@H](O)[C@@](O)([2H])[C@@H](O[C@H]8C(O)[C@](O)([2H])[C@@H](O[C@H]9[C@H](O)[C@](O)([2H])C6O[C@@H]9C([2H])([2H])O)O[C@@H]8C([2H])([2H])O)O[C@@H]7C([2H])([2H])O

InChI

InChI=1S/C48H80O40/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/h9-72H,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,3R,5R,6S,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,44S,45R,46S,47R,48S,49R,50S,52R,53R,54R,55R,56R)-42,44,46,48,50,52,54,56-octadeuterio-5,10,15,20,25,30,35,40-octakis[dideuterio(hydroxy)methyl]-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

17465-86-0

SIL Type

Deuterium

Storage Temperature

+20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat