Diethyl 5,5'-[(2-Hydroxy-1,3-propanediyl)bis(oxy)]bis[3,4-dihydro-2-hydroxy-4-oxo-2H-1-benzopyran-2-carboxylic Acid Ester-D5

Analyte Name

ethyl 2-hydroxy-4-oxo-5-[1,1,2,3,3-pentadeuterio-3-[(2-ethoxycarbonyl-2-hydroxy-4-oxo-3H-chromen-5-yl)oxy]-2-hydroxypropoxy]-3H-chromene-2-carboxylate

Molecular Formula

C27 D5 H23 O13

Molecular Weight

565.534

Accurate Mass

565.184

SMILES

[2H]C([2H])(Oc1cccc2OC(O)(CC(=O)c12)C(=O)OCC)C([2H])(O)C([2H])([2H])Oc3cccc4OC(O)(CC(=O)c34)C(=O)OCC

InChI

InChI=1S/C27H28O13/c1-3-35-24(31)26(33)11-16(29)22-18(7-5-9-20(22)39-26)37-13-15(28)14-38-19-8-6-10-21-23(19)17(30)12-27(34,40-21)25(32)36-4-2/h5-10,15,28,33-34H,3-4,11-14H2,1-2H3/i13D2,14D2,15D

IUPAC

ethyl 2-hydroxy-4-oxo-5-[1,1,2,3,3-pentadeuterio-3-[(2-ethoxycarbonyl-2-hydroxy-4-oxo-3H-chromen-5-yl)oxy]-2-hydroxypropoxy]-3H-chromene-2-carboxylate

Unlabelled CAS Number

65518-27-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat