Analyte Name

Calcitriol-dehydroxytrimethylsilyl-3,5-O-tert-butyldimethylsilyl-d6

Molecular Formula

C45 D6 H80 O3 Si3

Molecular Weight

765.456

Accurate Mass

764.626

SMILES

[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)C3=C)O[Si](C)(C)C(C)(C)C)\CCC[C@]12C)(O[Si](CC)(CC)CC)C([2H])([2H])[2H]

InChI

InChI=1S/C45H86O3Si3/c1-19-51(20-2,21-3)48-44(12,13)30-22-24-34(4)39-28-29-40-36(25-23-31-45(39,40)14)26-27-37-32-38(46-49(15,16)42(6,7)8)33-41(35(37)5)47-50(17,18)43(9,10)11/h26-27,34,38-41H,5,19-25,28-33H2,1-4,6-18H3/b36-26+,37-27-/t34-,38-,39-,40+,41+,45-/m1/s1/i12D3,13D3

IUPAC

[(1S,3Z,5R)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-7,7,7-trideuterio-6-(trideuteriomethyl)-6-triethylsilyloxyheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-[tert-butyl(dimethyl)silyl]oxy-2-methylidenecyclohexyl]oxy-tert-butyl-dimethylsilane

Unlabelled CAS Number

343969-53-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat