Kaempferol 3-O-glucuronide

CAS Registry Number®

22688-78-4
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CAS Name

Kaempferol 3-O-glucuronide

Molecular Formula

C21H18O12

Molecular Mass

462.36

Cite this Page

Kaempferol 3-O-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=22688-78-4 (retrieved 2024-05-04) (CAS RN: 22688-78-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189-191 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1

InChIKey

InChIKey=FNTJVYCFNVUBOL-ZUGPOPFOSA-N

SMILES

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

Canonical SMILES

O=C(O)C1OC(OC=2C(=O)C=3C(O)=CC(O)=CC3OC2C=4C=CC(O)=CC4)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl
  • Glucopyranosiduronic acid, 5,7-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl, β-D-
  • 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl β-D-glucopyranosiduronic acid
  • Glucuronyl-3-kaempferol
  • Kaempferol 3-glucuronide

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Deleted or Replaced CAS Registry Numbers

27215-05-0, 30137-95-2, 352565-48-1

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