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Product Overview

Product Code

TRC-C144520

CAS Number

86307-44-0

Product Format

Neat

Molecular Formula

C35 H49 N3 O5

Molecular Weight

591.78

API Family

Calcitriol

Product Categories

TRC, Impurity Reference Materials , Chiral Molecules , Food and Beverage Reference Materials, Vitamins, Additional Covid-19 Research materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

pre-Calcitriol PTAD Adduct

CAS Number

86307-44-0

Molecular Formula

C35 H49 N3 O5

Molecular Weight

591.78

Accurate Mass

591.3672

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C3=C[C@H](N4N([C@@H]3CC[C@]12C)C(=O)N(C4=O)c5ccccc5)C6=C(C)[C@@H](O)C[C@H](O)C6

InChI

InChI=1S/C35H49N3O5/c1-21(10-9-16-34(3,4)43)27-13-14-28-26-20-30(25-18-24(39)19-31(40)22(25)2)38-33(42)36(23-11-7-6-8-12-23)32(41)37(38)29(26)15-17-35(27,28)5/h6-8,11-12,20-21,24,27-31,39-40,43H,9-10,13-19H2,1-5H3/t21-,24-,27-,28+,29-,30+,31+,35-/m1/s1

IUPAC

7-(3,5-dihydroxy-2-methylcyclohexen-1-yl)-13-(6-hydroxy-6-methylheptan-2-yl)-14-methyl-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Calcitriol

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pre-Calcitriol PTAD Adduct (Mixture of Diastereomers)

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