Product Code

TRC-B691236

Product Format

Neat

Molecular Formula

C33 D6 H52 O2 Si

Molecular Weight

520.935

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

140710-90-3

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

3-O-tert-Butyldimethylsilyl Calcifediol-D6

Molecular Formula

C33 D6 H52 O2 Si

Molecular Weight

520.935

Accurate Mass

520.458

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](CCC3=C)O[Si](C)(C)C(C)(C)C)\CCC[C@]12C)C([2H])([2H])[2H]

InChI

InChI=1S/C33H58O2Si/c1-24-15-18-28(35-36(9,10)31(3,4)5)23-27(24)17-16-26-14-12-22-33(8)29(19-20-30(26)33)25(2)13-11-21-32(6,7)34/h16-17,25,28-30,34H,1,11-15,18-23H2,2-10H3/b26-16+,27-17-/t25-,28+,29-,30+,33-/m1/s1/i6D3,7D3

IUPAC

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

Unlabelled CAS Number

140710-90-3

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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3-O-tert-Butyldimethylsilyl Calcifediol-D6

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