Isorhamnetin 3-glucuronide

CAS Registry Number®

36687-76-0
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CAS Name

Isorhamnetin 3-glucuronide

Molecular Formula

C22H20O13

Molecular Mass

492.39

Cite this Page

Isorhamnetin 3-glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36687-76-0 (retrieved 2024-04-30) (CAS RN: 36687-76-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1

InChIKey

InChIKey=VVZWHOMBDMMRSC-NTKSAMNMSA-N

SMILES

O(C1=C(OC=2C(C1=O)=C(O)C=C(O)C2)C3=CC(OC)=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)=C(OC)C4)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-3-yl
  • 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-3-yl β-D-glucopyranosiduronic acid
  • Isorhamnetin 3-glucuronide
  • Isorhamnetin 3-glucuronoside
  • Isorhamnetin 3-O-β-glucuronide

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Deleted or Replaced CAS Registry Numbers

1344031-26-0

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