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Product Overview

Product Code

TRC-V676060

CAS Number

51744-66-2

Product Format

Neat

Molecular Formula

C28H44O

Molecular Weight

396.65

API Family

Ergocalciferol

Product Categories

Vitamin D Receptors, TRC, Multiple Sclerosis, Sleep, Stress and Anxiety, Additional Covid-19 Research materials, Impurity Reference Materials

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

5,6-trans-Vitamin D2

CAS Number

51744-66-2

Molecular Formula

C28H44O

Molecular Weight

396.65

Accurate Mass

396.3392

SMILES

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

InChI

InChI=1S/C28H44O/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/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1

IUPAC

(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-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

Ergocalciferol

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5,6-trans-Vitamin D2

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