Product Code

TRC-C125702

CAS Number

78782-98-6

Product Format

Neat

Molecular Formula

C27 2H6 H38 O2

Molecular Weight

406.67

API Family

Calcifediol, Vitamin D3

Product Categories

Pharmaceutical Reference Standards, TRC, Chiral Molecules , Vitamins, Hydroxyvitamin D, Vitamins, Vitamins and derivatives, Vitamins and derivatives, Vitamin D Receptors, Multiple Sclerosis, Sleep, Stress and Anxiety, Additional Covid-19 Research materials, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Metabolite, API

Alternate CAS Number

19356-17-3

Unlabelled CAS Number

19356-17-3

Drug Type

Vitamins & Derivatives

Price and availability

48-hour USA dispatch time

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Product Information

Chemical Data

Analyte Name

D6-25-Hydroxyvitamin D3

CAS Number

78782-98-6

Molecular Formula

C27 2H6 H38 O2

Molecular Weight

406.67

Accurate Mass

406.3718

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

InChI

InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i3D3,4D3

IUPAC

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

Alternate CAS Number

19356-17-3

Unlabelled CAS Number

19356-17-3

SIL Type

Deuterium

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Calcifediol; Vitamin D3

Product Description

A metabolite of Vitamin D. The principal circulating form of vitamin D3, formed in the liver by hydroxylation at C-25. Calcium regulator.

References: orii, et al.: Arch. Biochem. Biophys., 120, 513 (1967), Blunt, et al.: Biochemistry, 7, 3317 (1968), Liu, et al.: Science, 311, 1770 (2006),

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Calcifediol-d6

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