Chemical Compound

Apigenin 7-O-diglucuronide

CAS Registry Number 74696-01-8
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Apigenin 7-O-diglucuronide chemical structure
Primary Record

Apigenin 7-O-diglucuronide

In stock
5,693 g
Purity
98.5 %
CAS
74696-01-8

Compound Identifiers & Properties

CAS
74696-01-8
PubChem CID
126843388
SMILES
C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)C(=O)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)C(=O)O)O)O)O)O)O
Canonical SMILES
O=C(O)[C@@H]1O[C@H](O[C@@H]2[C@@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@@H](C(=O)O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

Names & Synonyms

  • Apigenin 7-O-diglucuronide
  • Apigenin 7-diglucuronide
  • apigenin-7-diglucuronide
  • RefChem:1077132
  • SCHEMBL30217478
  • C27H26O17
  • DA-50638
  • XA161656
  • 74696-01-8
  • beta-D-Glucopyranosiduronic acid, 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl O-beta-D-glucopyranuronosyl-
  • (2R,3R,4R,5S,6S)-6-[(2R,3S,4R,5R,6R)-6-carboxy-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl O-b-D-glucopyranuronosyl-b-D-glucopyranosiduroni c acid