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Product Overview

Product Code

TRC-F500489

Product Format

Neat

Molecular Formula

C24 D4 H27 F O4

Molecular Weight

406.524

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Alternate CAS Number

3385-03-3

Unlabelled CAS Number

3385-03-3

Documentation

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Product Information

Chemical Data

Analyte Name

Flunisolide-d4 (major)

Molecular Formula

C24 D4 H27 F O4

Molecular Weight

406.524

Accurate Mass

406.246

SMILES

[2H]C([2H])(O)C(=O)[C@@]12CCC[C@@H]1C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@@]5(C)[C@@]4([2H])[C@@]([2H])(O)C[C@]23C

InChI

InChI=1S/C24H31FO4/c1-22-7-5-14(27)9-17(22)18(25)10-15-16-8-13-4-3-6-24(13,20(29)12-26)23(16,2)11-19(28)21(15)22/h5,7,9,13,15-16,18-19,21,26,28H,3-4,6,8,10-12H2,1-2H3/t13-,15+,16-,18+,19+,21-,22-,23+,24-/m1/s1/i12D2,19D,21D

IUPAC

(1S,2R,4R,8S,9S,11S,12S,13S,19S)-11,12-dideuterio-8-(2,2-dideuterio-2-hydroxyacetyl)-19-fluoro-11-hydroxy-9,13-dimethylpentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Alternate CAS Number

3385-03-3

Unlabelled CAS Number

3385-03-3

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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