Analyte Name

6A,6B,6C,6D,6E,6F,6G-Heptakis-O-(2-hydroxypropyl)-beta-cyclodextrin-d42

Molecular Formula

C63 D42 H70 O42

Molecular Weight

1583.797

Accurate Mass

1582.926

SMILES

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

InChI

InChI=1S/C63H112O42/c1-22(64)8-85-15-29-50-36(71)43(78)57(92-29)100-51-30(16-86-9-23(2)65)94-59(45(80)38(51)73)102-53-32(18-88-11-25(4)67)96-61(47(82)40(53)75)104-55-34(20-90-13-27(6)69)98-63(49(84)42(55)77)105-56-35(21-91-14-28(7)70)97-62(48(83)41(56)76)103-54-33(19-89-12-26(5)68)95-60(46(81)39(54)74)101-52-31(17-87-10-24(3)66)93-58(99-50)44(79)37(52)72/h22-84H,8-21H2,1-7H3/t22?,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-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1/i1D3,2D3,3D3,4D3,5D3,6D3,7D3,8D2,9D2,10D2,11D2,12D2,13D2,14D2,22D,23D,24D,25D,26D,27D,28D

IUPAC

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,37R,38R,39R,41R,42S,43R,44S,45R,46R,47R,48S,49R)-5,10,15,20,25,30,35-heptakis[(1,1,2,3,3,3-hexadeuterio-2-hydroxypropoxy)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Unlabelled CAS Number

107745-73-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat