Analyte Name

Beraprost-d3

Molecular Formula

C24 D3 H27 O5

Molecular Weight

401.51

Accurate Mass

401.228

SMILES

[2H]C([2H])([2H])C(CC#CC)[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2Oc3c(CCCC(=O)O)cccc3[C@H]12

InChI

InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15?,17-,19+,20+,21-,23-/m0/s1/i2D3

IUPAC

4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-(trideuteriomethyl)oct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat