Analyte Name

Codeine-d6 beta-D-Glucuronide Triacetate Methyl Ester

Molecular Formula

C31H31D6NO12

Molecular Weight

621.66

Accurate Mass

621.27

SMILES

[H][C@@]12C=C[C@H](O[C@@H]3O[C@H](C(OC)=O)[C@@H](OC(C)=O)C(OC(C)=O)[C@H]3OC(C)=O)[C@H]4[C@]15C6=C(C=CC(OC([2H])([2H])[2H])=C6O4)C[C@H]2N(C([2H])([2H])[2H])CC5

InChI

InChI=1S/C31H37NO12/c1-14(33)39-24-25(40-15(2)34)27(41-16(3)35)30(44-26(24)29(36)38-6)42-21-10-8-18-19-13-17-7-9-20(37-5)23-22(17)31(18,28(21)43-23)11-12-32(19)4/h7-10,18-19,21,24-28,30H,11-13H2,1-6H3/t18-,19+,21-,24-,25?,26-,27+,28-,30+,31-/m0/s1/i4D3,5D3

IUPAC

(2R,3R,5S,6S)-2-(((4R,4aR,7S,7aR,12bS)-9-(methoxy-d3)-3-(methyl-d3)-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)oxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Alternate CAS Number

20736-10-1

Unlabelled CAS Number

20736-10-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat