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Product Overview

Product Code

TRC-D297910

CAS Number

287966-62-5

Product Format

Neat

Molecular Formula

C12 H23 N O7 S2

Molecular Weight

357.44

Product Categories

Phytochemical Reference Materials and Research Tools, Carbohydrates, TRC

Documentation

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Product Information

Chemical Data

Analyte Name

Desulfo Glucoraphanin

CAS Number

287966-62-5

Molecular Formula

C12 H23 N O7 S2

Molecular Weight

357.44

Accurate Mass

357.0916

SMILES

CS(=O)CCCC\C(=N/O)\S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C12H23NO7S2/c1-22(19)5-3-2-4-8(13-18)21-12-11(17)10(16)9(15)7(6-14)20-12/h7,9-12,14-18H,2-6H2,1H3/b13-8+/t7-,9-,10+,11-,12+,22?/m1/s1

IUPAC

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (1E)-N-hydroxy-5-methylsulfinyl-pentanimidothioate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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