24,25-Dihydroxy Vitamin D2-d3 (Mixture of Diastereomers)

Analyte Name

24,25-Dihydroxy Vitamin D2 3-methyl-d3 (mixture of diastereomers)

CAS Number

118584-50-2

Molecular Formula

C28 2H3 H41 O3

Molecular Weight

431.67

Accurate Mass

431.3479

SMILES

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

InChI

InChI=1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,27-,28?/m1/s1/i6D3

IUPAC

(E,6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5S)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-3-(trideuteriomethyl)hept-4-ene-2,3-diol

Unlabelled CAS Number

58050-55-8

SIL Type

Deuterium

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Vitamin D2; Ergocalciferol