Quercetagitrin

CAS Registry Number®

548-75-4

CAS Name

Quercetagitrin

Molecular Formula

C21H20O13

Molecular Mass

480.38

Cite this Page

Quercetagitrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=548-75-4 (retrieved 2024-11-23) (CAS RN: 548-75-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    236-238 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1

InChIKey

InChIKey=IDTDRZPBDLMCLB-HSOQPIRZSA-N

SMILES

O=C1C=2C(OC(=C1O)C3=CC(O)=C(O)C=C3)=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(O)C2O

Canonical SMILES

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

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5,6-trihydroxy-
  • Quercetagitrin
  • Quercetagetin 7-glucoside
  • 2-(3,4-Dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-3,5,6-trihydroxy-4H-1-benzopyran-4-one
  • Quercetagetin, 7-β-D-glucopyranoside

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Deleted or Replaced CAS Registry Numbers

31071-19-9, 1333260-37-9

CAS INSIGHTSTM
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