Apigenin 7-O-glucuronide

CAS Registry Number®

29741-09-1
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CAS Name

Apigenin 7-O-glucuronide

Molecular Formula

C21H18O11

Molecular Mass

446.36

Cite this Page

Apigenin 7-O-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29741-09-1 (retrieved 2024-07-08) (CAS RN: 29741-09-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    >300 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

InChIKey

InChIKey=JBFOLLJCGUCDQP-ZFORQUDYSA-N

SMILES

O=C1C=2C(OC(=C1)C3=CC=C(O)C=C3)=CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC2O

Canonical SMILES

O=C(O)C1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=CC4)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl
  • Glucopyranosiduronic acid, 5-hydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, β-D-
  • 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid
  • Apigenin 7-glucuronide
  • Apigenin 7-O-glucuronide

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Deleted or Replaced CAS Registry Numbers

68759-17-1, 956511-44-7, 1382137-35-0