Name: 1-epi-Calcitriol
Brand: TRC
SKU: TRC-C144490-10MG

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Product Overview

Product Code

TRC-C144490-10MG

CAS Number

66791-71-7

Product Format

Neat

Molecular Formula

C27H44O3

Molecular Weight

416.64

API Family

Calcitriol

Product Categories

Impurity Reference Materials , Vitamins, TRC, Lipids

Product Type

Native/Parent, Impurity

Documentation

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Product Information

Analyte Name

1-epi-Calcitriol

CAS Number

66791-71-7

Molecular Formula

C27H44O3

Molecular Weight

416.64

Accurate Mass

416.329

SMILES

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

InChI

InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25-,27-/m1/s1

IUPAC

(1R,3R,5Z)-5-[(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-methylidenecyclohexane-1,3-diol

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Native/Parent; Impurity

Product Format

Neat

API Family

Calcitriol

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