Name: Quercetin-3-O-Beta-D-glucose-7-O-Beta-D-gentiobioside
Brand: TRC
SKU: TRC-Q510048

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Product Overview

Product Code

TRC-Q510048

CAS Number

60778-02-1

Product Format

Neat

Molecular Formula

C33H40O22

Molecular Weight

788.66

Product Categories

TRC, Additional Covid-19 Research materials, Natural Products

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Quercetin-3-O-beta-D-glucose-7-O-beta-D-gentiobioside

CAS Number

60778-02-1

Molecular Formula

C33H40O22

Molecular Weight

788.66

Accurate Mass

788.2011

SMILES

OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C(=C(Oc4c3)c5ccc(O)c(O)c5)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChI=1S/C33H40O22/c34-6-15-19(39)23(43)26(46)31(52-15)49-8-17-21(41)25(45)27(47)32(54-17)50-10-4-13(38)18-14(5-10)51-29(9-1-2-11(36)12(37)3-9)30(22(18)42)55-33-28(48)24(44)20(40)16(7-35)53-33/h1-5,15-17,19-21,23-28,31-41,43-48H,6-8H2/t15-,16-,17-,19-,20-,21-,23+,24+,25+,26-,27-,28-,31-,32-,33+/m1/s1

IUPAC

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

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat

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