Vitamin D3-d7 (Major)

Analyte Name

Vitamin D3-25,26,26,26,27,27,27-d7

CAS Number

1627523-19-6

Molecular Formula

C27 D7 H37 O

Molecular Weight

391.68

Accurate Mass

391.3832

SMILES

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

InChI

InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1/i1D3,2D3,19D

IUPAC

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6,7,7,7-tetradeuterio-6-(trideuteriomethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Unlabelled CAS Number

67-97-0

SIL Type

Deuterium

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Vitamins