Vitamin D3-d3

Analyte Name

Vitamin D3 (Cholecalciferol) (6,19,19-D3)

CAS Number

80666-48-4

Molecular Formula

C27 D3 H41 O

Molecular Weight

387.66

Accurate Mass

387.358

SMILES

[2H]C(=C1\C(\C[C@H](CC1)O)=C(\[2H])/C=C/2\CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CCCC(C)C)[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/i3D2,13D

IUPAC

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterio-ethylidene]-4-(dideuteriomethylene)cyclohexanol

SIL Type

Deuterium

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

API Family

Vitamins