5,8-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

119262-69-0

CAS Name

5,8-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

Molecular Formula

C21H18O14

Molecular Mass

494.36

Cite this Page

5,8-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119262-69-0 (retrieved 2025-01-07) (CAS RN: 119262-69-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H18O14/c22-6-3-10(5-1-8(24)13(26)9(25)2-5)33-18-12(6)7(23)4-11(14(18)27)34-21-17(30)15(28)16(29)19(35-21)20(31)32/h1-4,15-17,19,21,23-30H,(H,31,32)/t15-,16-,17+,19-,21+/m0/s1

InChIKey

InChIKey=GEISOXGZDVPJOC-BHWDSYMASA-N

SMILES

O=C1C=2C(OC(=C1)C3=CC(O)=C(O)C(O)=C3)=C(O)C(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=C2O)C=4C=C(O)C(O)=C(O)C4)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 5,8-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-7-yl
  • 5,8-Dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

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