Product Code

TRC-V680002

Product Format

Neat

Molecular Formula

C28 D5 H41 O

Molecular Weight

403.695

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

511-28-4

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Vitamin D4-d5

Molecular Formula

C28 D5 H41 O

Molecular Weight

403.695

Accurate Mass

403.386

SMILES

[2H]C1([2H])CC(=C)\C(=C/C=C/2\CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)CC[C@H](C)C(C)C)\C([2H])([2H])[C@@]1([2H])O

InChI

InChI=1S/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3/b23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1/i14D2,18D2,25D

IUPAC

(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-5,6-dimethylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-1,2,2,6,6-pentadeuterio-4-methylidenecyclohexan-1-ol

Unlabelled CAS Number

511-28-4

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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