Analyte Name

25-Hydroxyvitamin D3 3-Hemisuccinate-d6

Molecular Formula

C31 D6 H42 O5

Molecular Weight

506.747

Accurate Mass

506.388

SMILES

[2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](CCC3=C)OC(=O)CCC(=O)O)\CCC[C@]12C)C([2H])([2H])[2H]

InChI

InChI=1S/C31H48O5/c1-21-10-13-25(36-29(34)17-16-28(32)33)20-24(21)12-11-23-9-7-19-31(5)26(14-15-27(23)31)22(2)8-6-18-30(3,4)35/h11-12,22,25-27,35H,1,6-10,13-20H2,2-5H3,(H,32,33)/b23-11+,24-12-/t22-,25+,26-,27+,31-/m1/s1/i3D3,4D3

IUPAC

4-[(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-hydroxy-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-4-oxobutanoic acid

Unlabelled CAS Number

69511-19-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat