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Product Overview

Product Code

TRC-H995855

CAS Number

69511-19-9

Product Format

Neat

Molecular Formula

C31 H48 O5

Molecular Weight

500.71

API Family

Vitamin D3

Product Categories

Vitamins, Chiral Molecules , TRC, Food and Beverage Reference Materials, Hydroxyvitamin D, Impurity Reference Materials , Vitamin D Receptors, Multiple Sclerosis, Sleep, Stress and Anxiety, Additional Covid-19 Research materials, Neurology Research Chemicals and Analytical Standards

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

25-Hydroxyvitamin D3 3-Hemisuccinate

CAS Number

69511-19-9

Molecular Formula

C31 H48 O5

Molecular Weight

500.71

Accurate Mass

500.3502

SMILES

C[C@H](CCCC(C)(C)O)C1CCC2\C(=C\C=C/3\C[C@H](CCC3=C)OC(=O)CCC(=O)O)\CCC[C@]12C

InChI

InChI=1S/C31H48O5/c1-21-10-13-25(36-29(34)17-16-28(32)33)20-24(21)12-11-23-9-7-19-31(5)26(14-15-27(23)31)22(2)8-6-18-30(3,4)35/h11-12,22,25-27,35H,1,6-10,13-20H2,2-5H3,(H,32,33)/b23-11+,24-12-/t22-,25+,26?,27?,31-/m1/s1

IUPAC

4-[(1S,3Z)-3-[(2E)-2-[(7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl]oxy-4-oxobutanoic acid

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Vitamin D3

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