Analyte Name

1alpha,25-Dihydroxy-3-epi-vitamin D2-D6

CAS Number

1202355-87-0

Molecular Formula

C28 D6 H38 O3

Molecular Weight

434.684

Accurate Mass

434.367

SMILES

[2H]C([2H])([2H])C(O)([C@@H](C)\C=C\[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/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23+,24-,25+,26+,28-/m1/s1/i4D3,5D3

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat