Quercetin 3,7-diglucoside

CAS Registry Number®

6892-74-6
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CAS Name

Quercetin 3,7-diglucoside

Molecular Formula

C27H30O17

Molecular Mass

626.52

Cite this Page

Quercetin 3,7-diglucoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6892-74-6 (retrieved 2024-05-06) (CAS RN: 6892-74-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    181-186 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=BNSCASRSSGJHQH-DEFKTLOSSA-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=C4)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O

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(O)=C(O)C5

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-bis(β-D-glucopyranosyloxy)-5-hydroxy-
  • Flavone, 3,3′,4′,5,7-pentahydroxy-, 3,7-di-β-D-glucopyranoside
  • Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-3,7-diyl di-, β-D-
  • 2-(3,4-Dihydroxyphenyl)-3,7-bis(β-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one
  • Quercetin 3,7-diglucoside

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Deleted or Replaced CAS Registry Numbers

27214-69-3, 1012316-10-7, 2454147-28-3

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