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Product Overview

Product Code

TRC-A575418

CAS Number

28371-16-6

Product Format

Neat

Molecular Formula

C21 H22 O9

Molecular Weight

418.39

Product Categories

TRC, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Natural Products

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Aloin B

CAS Number

28371-16-6

Molecular Formula

C21 H22 O9

Molecular Weight

418.39

Accurate Mass

418.1264

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2c3cccc(O)c3C(=O)c4c(O)cc(CO)cc24

InChI

InChI=1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13-,14-,17-,19+,20-,21+/m1/s1

IUPAC

(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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