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Product Overview

Product Code

TRC-A133085

CAS Number

2435-02-1

Product Format

Neat

Molecular Formula

C23 H28 O6

Molecular Weight

400.46

Product Categories

Impurity Reference Materials , TRC, API Reference Standards & Research Materials

Product Type

Impurity, API

Documentation

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Product Information

Chemical Data

Analyte Name

21-(Acetyloxy)-17-hydroxy-pregna-4,6-diene-3,11,20-trione

CAS Number

2435-02-1

Molecular Formula

C23 H28 O6

Molecular Weight

400.46

Accurate Mass

400.1886

SMILES

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CCC4(C)[C@H]3C(=O)C[C@]12C

InChI

InChI=1S/C23H28O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h4-5,10,16-17,20,28H,6-9,11-12H2,1-3H3/t16-,17-,20+,21?,22-,23-/m0/s1

IUPAC

[2-[(8S,9S,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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