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Product Overview

Product Code

TRC-S201900

CAS Number

27740-01-8

Product Format

Neat

Molecular Formula

C21 H18 O12

Molecular Weight

462.36

Product Categories

TRC, Bioactive small molecules, Phytochemical Reference Materials and Research Tools, Flavonoids, Apoptosis

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Scutellarin

CAS Number

27740-01-8

Molecular Formula

C21 H18 O12

Molecular Weight

462.36

Accurate Mass

462.0798

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2cc3OC(=CC(=O)c3c(O)c2O)c4ccc(O)cc4)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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