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Product Overview

Product Code

TRC-V943430

Product Format

Neat

Molecular Formula

C20 H35 N O13 . x[HCl]

Molecular Weight

533.95174

Product Categories

TRC, Fungicides and metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

Alternate CAS Number

Free base: 37248-47-8

Documentation

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Product Information

Chemical Data

Analyte Name

Validamycin A Hydrochloride Salt

Molecular Formula

C20 H35 N O13 . x[HCl]

Molecular Weight

533.95174

Accurate Mass

533.1875

SMILES

OCC1=C[C@@]([H])([C@@H]([C@H]([C@@H]1O)O)O)N[C@@H]2[C@@H]([C@H]([C@@H]([C@H](C2)CO)O[C@@]3(O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)[H])O)O.[HCl]

InChI

InChI=1S/C20H35NO13.ClH/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20;/h1,7-32H,2-5H2;1H/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+;/m1./s1

IUPAC

(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol;hydrochloride

Alternate CAS Number

Free base: 37248-47-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Validamycin A (>70%) Hydrochloride

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