Isoquercitrin

CAS Registry Number®

21637-25-2
No image available.

CAS Name

Isoquercitrin

Molecular Formula

C21H20O12

Molecular Mass

464.38

Cite this Page

Isoquercitrin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21637-25-2 (retrieved 2024-03-02) (CAS RN: 21637-25-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19-,21+/m1/s1

InChIKey

InChIKey=OPJZLUXFQFQYAI-GNPVFZCLSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)[C@@H]4O[C@]([C@@H](CO)O)([C@H](O)[C@H]4O)[H]

Canonical SMILES

O=C1C(OC2OC(C(O)CO)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=C(O)C4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5,7-dihydroxy-
  • Flavone, 3,3′,4′,5,7-pentahydroxy-, 3-β-D-glucofuranoside
  • 2-(3,4-Dihydroxyphenyl)-3-(β-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
  • Quercetin 3-(β-D-glucofuranoside)
  • Isoquercitrin

Deleted or Replaced CAS Registry Numbers

1399-98-0

CAS INSIGHTSTM
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