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Product Overview

Product Code

TRC-A794585

CAS Number

126054-77-1

Product Format

Neat

Molecular Formula

C21 H36 O10

Molecular Weight

448.5

Product Categories

Antimicrobials, Biochemicals and Reagents, Antibiotics by mechanism of action, TRC, Natural Products

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Atractyloside A

CAS Number

126054-77-1

Molecular Formula

C21 H36 O10

Molecular Weight

448.5

Accurate Mass

448.2308

SMILES

C[C@]1(O)[C@@H]2C[C@H](C(C)(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C)CC[C@@](CO)(O)[C@H]2CC1=O

InChI

InChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13-,15-,16+,17-,18+,20+,21+/m1/s1

IUPAC

(3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Atractyloside A

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