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Product Overview

Product Code

TRC-H995860

CAS Number

73809-05-9

Product Format

Neat

Molecular Formula

C27 H44 O2

Molecular Weight

400.64

API Family

Vitamin D3

Product Categories

TRC, Vitamins

Product Type

Bioactive Small Molecule

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

3-epi-25-Hydroxyvitamin D3

CAS Number

73809-05-9

Molecular Formula

C27 H44 O2

Molecular Weight

400.64

Accurate Mass

400.3341

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(=C\C=C/3\C[C@H](O)CCC3=C)\CCC[C@]12C

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

IUPAC

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

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

API Family

Vitamin D3

Purity

>95% (HPLC)

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