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Product Overview

Product Code

TRC-S200520

CAS Number

531-44-2

Product Format

Neat

Molecular Formula

C16 H18 O9

Molecular Weight

354.309

API Family

Umbelliferone

Product Categories

TRC

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Scopolin

CAS Number

531-44-2

Molecular Formula

C16 H18 O9

Molecular Weight

354.309

Accurate Mass

354.095

SMILES

COc1cc2C=CC(=O)Oc2cc1O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O

InChI

InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1

IUPAC

6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Umbelliferone

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Scopoletin 7-O-Glucoside

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