Genistein diglucuronide

CAS Registry Number®

428438-35-1

CAS Name

Genistein diglucuronide

Molecular Formula

C27H26O17

Molecular Mass

622.49

Cite this Page

Genistein diglucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=428438-35-1 (retrieved 2024-11-08) (CAS RN: 428438-35-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H26O17/c28-12-5-10(42-27-21(35)17(31)19(33)23(44-27)25(38)39)6-13-14(12)15(29)11(7-40-13)8-1-3-9(4-2-8)41-26-20(34)16(30)18(32)22(43-26)24(36)37/h1-7,16-23,26-28,30-35H,(H,36,37)(H,38,39)/t16-,17-,18-,19-,20+,21+,22-,23-,26+,27+/m0/s1

InChIKey

InChIKey=DFJSPRNCKDBZIJ-MWBUVXCNSA-N

SMILES

O=C1C=2C(=CC(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC2O)OC=C1C4=CC=C(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)C=C4

Canonical SMILES

O=C(O)C1OC(OC=2C=CC(=CC2)C3=COC4=CC(OC5OC(C(=O)O)C(O)C(O)C5O)=CC(O)=C4C3=O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-[7-(β-D-glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl]phenyl
  • 4-[7-(β-D-Glucopyranuronosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-3-yl]phenyl β-D-glucopyranosiduronic acid
  • Genistein diglucuronide

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles