Quercetin 3,7,4′-triglucoside

CAS Registry Number®

133563-23-2

CAS Name

Quercetin 3,7,4′-triglucoside

Molecular Formula

C33H40O22

Molecular Mass

788.66

Cite this Page

Quercetin 3,7,4′-triglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=133563-23-2 (retrieved 2024-11-05) (CAS RN: 133563-23-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=JWSWVKOHVSHWQA-GZIDCZEMSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C2)C4=CC(O)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C=C4)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC3=CC(OC4OC(CO)C(O)C(O)C4O)=CC(O)=C13)C=5C=CC(OC6OC(CO)C(O)C(O)C6O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 3,7-bis(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-
  • 3,7-Bis(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-4H-1-benzopyran-4-one
  • Quercetin 3,7,4′-O-β-triglucopyranoside
  • Quercetin 3,4′,7-triglucoside
  • Quercetin 3,7,4′-triglucoside

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles