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Product Overview

Product Code

TRC-M325725

CAS Number

86401-95-8

Product Format

Neat

Molecular Formula

C27 H36 O7

Molecular Weight

472.57

API Family

Prednisone, Methylprednisolone Aceponate

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , Vitamins

Product Type

Bioactive Small Molecule, API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

6-alpha-Methyl Prednisolone Aceponate

CAS Number

86401-95-8

Molecular Formula

C27 H36 O7

Molecular Weight

472.57

Accurate Mass

472.2461

SMILES

CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)C

InChI

InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1

IUPAC

[(6S,8S,9S,10R,11S,13S,14S,17R)-17-(2-acetyloxyacetyl)-11-hydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Prednisone; Methylprednisolone Aceponate

Purity

>95% (HPLC)

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