Analyte Name

Desacetyl Bisacodyl beta-D-Glucuronide Labeled(Maybe d12, d11, or d10)

Molecular Formula

C24H11D11NO8

Molecular Weight

309.45

Accurate Mass

309.23

SMILES

OC(C([2H])=C1[2H])=C(C([2H])=C1C(C2=C(C([2H])=C(C([2H])=C2[2H])O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(O)=O)O)O)O)[2H])C4=C(C([2H])=C(C([2H])=N4)[2H])[2H])[2H]

InChI

InChI=1S/C24H23NO8/c26-15-8-4-13(5-9-15)18(17-3-1-2-12-25-17)14-6-10-16(11-7-14)32-24-21(29)19(27)20(28)22(33-24)23(30)31/h1-12,18-22,24,26-29H,(H,30,31)/t18?,19-,20-,21+,22-,24+/m0/s1/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-((4-hydroxyphenyl-2,3,5,6-d4)(pyridin-2-yl-d4)methyl)phenoxy-2,3,5,6-d4)tetrahydro-2H-pyran-2-carboxylic acid

Alternate CAS Number

31050-47-2

Unlabelled CAS Number

31050-47-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat