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Product Overview

Product Code

TRC-P213540

CAS Number

23567-23-9

Product Format

Neat

Molecular Formula

C30 H26 O12

Molecular Weight

578.52

Product Categories

Pharmaceutical Toxicology Reference Materials , Flavonoids, Antimycotics, TRC

Product Type

Bioactive small molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Procyanidin B3

CAS Number

23567-23-9

Molecular Formula

C30 H26 O12

Molecular Weight

578.52

Accurate Mass

578.142

SMILES

O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c2O[C@@H]1c6ccc(O)c(O)c6

InChI

InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1

IUPAC

(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,4-dihydro-2H-chromene-3,5,7-triol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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