Quercetin 7,4′-diglucoside

CAS Registry Number®

42900-82-3
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CAS Name

Quercetin 7,4′-diglucoside

Molecular Formula

C27H30O17

Molecular Mass

626.52

Cite this Page

Quercetin 7,4′-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42900-82-3 (retrieved 2024-09-19) (CAS RN: 42900-82-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H30O17/c28-6-14-17(32)20(35)23(38)26(43-14)40-9-4-11(31)16-13(5-9)41-25(22(37)19(16)34)8-1-2-12(10(30)3-8)42-27-24(39)21(36)18(33)15(7-29)44-27/h1-5,14-15,17-18,20-21,23-24,26-33,35-39H,6-7H2/t14-,15-,17-,18-,20+,21+,23-,24-,26-,27-/m1/s1

InChIKey

InChIKey=QZXHFNCQMMUANB-UINLEYECSA-N

SMILES

O=C1C=2C(OC(=C1O)C3=CC(O)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)=CC(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=CC2O

Canonical SMILES

O=C1C(O)=C(OC2=CC(OC3OC(CO)C(O)C(O)C3O)=CC(O)=C12)C=4C=CC(OC5OC(CO)C(O)C(O)C5O)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5-dihydroxy-
  • Flavone, 3,3′,4′,5,7-pentahydroxy-, 4′,7-diglucoside
  • 7-(β-D-Glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-3,5-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin 4′,7-diglucoside
  • Quercetin 7,4′-diglucoside

Deleted or Replaced CAS Registry Numbers

28553-07-3