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Peonidin-3-O-Rutinoside Chloride(AS)

Product Code

CDX-00016383-005

CAS Number

27539-32-8

Product Format

Neat

Molecular Formula

C29 H35 O14 . Cl

Molecular Weight

643.03

Product Categories

Additional phytochemical reference materials, ChromaDex

Price and availability

48-hour USA dispatch time
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Product Information

Analyte Data

Analyte Name

Peonidin-3-O-rutinoside chloride

CAS Number

27539-32-8

Molecular Formula

C29 H35 O14 . Cl

Molecular Weight

643.03

Accurate Mass

642.1715

SMILES

[Cl-].COc1cc(ccc1O)c2[o+]c3cc(O)cc(O)c3cc2O[C@@H]4O[C@H](CO[C@@H]5C[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O

InChI

/h3-4,6-9,11,19,21-27,29,33-38H,5,10H2,1-2H3,(H2-,30,31,32), /m1./s1, InChI=1S/C29H34O14.ClH/c1-11-5-19(23(34)25(36)22(11)33)40-10-21-24(35)26(37)27(38)29(43-21)42-20-9-14-16(32)7-13(30)8-17(14)41-28(20)12-3-4-15(31)18(6-12)39-2, 1H/t11-,19-,21-,22+,23+,24-,25-,26+,27-,29-

IUPAC

(2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromenylium-3-yl]oxy-6-[[(1R,2R,3R,4S,5R)-2,3,4-trihydroxy-5-methyl-cyclohexoxy]methyl]tetrahydropyran-3,4,5-triol;chloride

Product Data

Storage Temperature

-20°C

Shipping Temperature

Ice pack (-20°C)

Country of Origin

UNITED STATES

Product Format

Neat
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