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Product Overview

Product Code

TRC-C953680

CAS Number

18719-76-1

Product Format

Neat

Molecular Formula

C27 H31 O15 . Cl

Molecular Weight

630.98

Product Categories

TRC, Natural Products

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Cyanidin-3-O-rutinoside chloride (Keracyanin)

CAS Number

18719-76-1

Molecular Formula

C27 H31 O15 . Cl

Molecular Weight

630.98

Accurate Mass

630.1351

SMILES

[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+;/m0./s1

IUPAC

(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Cyanidin 3-O-Rutinoside (75%)

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