2’,3’,4’-Tri-O-benzoyl Propofol-d17 Beta-D-Glucuronide Methyl Ester

Analyte Name

2’,3’,4’-Tri-O-benzoyl Propofol-d17 beta-D-Glucuronide Methyl Ester

Molecular Formula

C₄₀H₂₃D₁₇O₁₀

Molecular Weight

697.84

Accurate Mass

697.37

SMILES

[2H]C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C1=C([2H])C([2H])=C([2H])C(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=C1O[C@@H]2O[C@H](C(OC)=O)[C@@H](OC(C3=CC=CC=C3)=O)[C@H](OC(C4=CC=CC=C4)=O)[C@H]2OC(C5=CC=CC=C5)=O

InChI

InChI=1S/C40H40O10/c1-24(2)29-22-15-23-30(25(3)4)31(29)49-40-35(48-38(43)28-20-13-8-14-21-28)33(47-37(42)27-18-11-7-12-19-27)32(34(50-40)39(44)45-5)46-36(41)26-16-9-6-10-17-26/h6-25,32-35,40H,1-5H3/t32?,33?,34?,35?,40-/m1/s1/i1D3,2D3,3D3,4D3,15D,22D,23D,24D,25D

IUPAC

(2S,3R,4S,5S,6S)-2-(2,6-bis(propan-2-yl-d7)phenoxy-3,4,5-d3)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat