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Product Code

TRC-A794895

CAS Number

29884-49-9

Product Format

Neat

Molecular Formula

C20 H22 O9

Molecular Weight

406.383

Product Categories

TRC, Natural Products

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Product Information

Chemical Data

Analyte Name

Astringin

CAS Number

29884-49-9

Molecular Formula

C20 H22 O9

Molecular Weight

406.383

Accurate Mass

406.126

SMILES

OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

IUPAC

(2S,3R,4S,5S,6R)-2-[3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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