Calcitriol-d6

Analyte Name

D6-1alpha,25-Dihydroxyvitamin D3 (Calcitriol-D6)

CAS Number

78782-99-7

Molecular Formula

C27 2H6 H38 O3

Molecular Weight

422.67

Accurate Mass

422.3667

Flash Point

-80

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](O)C[C@H](O)C3=C)\CCC[C@]12C)C([2H])([2H])[2H]

InChI

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1/i3D3,4D3

IUPAC

(1R,3S,5Z)-5-[(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-methylidenecyclohexane-1,3-diol

Unlabelled CAS Number

32222-06-3

SIL Type

Deuterium

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Tariff Code

28459010

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Vitamin D3; Calcitriol