Analyte Name

6',7-Oxycodol-Oxycodone

CAS Number

2139257-36-4

Molecular Formula

C36H42N2O8

Molecular Weight

630.74

Accurate Mass

630.29

SMILES

O[C@]12[C@@]34C5=C(C[C@@]2([H])N(CC4)C)C=CC(OC)=C5O[C@@]3([H])C(CC1)(C(C6)C([C@]([C@]7(C8=C(C[C@@]9([H])N(CC7)C)C=C%10)[C@@]69O)([H])OC8=C%10OC)=O)O

InChI

InChI=1S/C36H42N2O8/c1-37-14-12-33-26-19-6-8-22(44-4)29(26)46-31(33)34(40,9-10-35(33,41)23(37)15-19)20-17-36(42)24-16-18-5-7-21(43-3)28-25(18)32(36,11-13-38(24)2)30(45-28)27(20)39/h5-8,20,23-24,30-31,40-42H,9-17H2,1-4H3/t20?,23-,24-,30+,31-,32+,33+,34?,35-,36-/m1/s1

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat