(2R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

CAS Registry Number®

133360-47-1
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CAS Name

(2R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

Molecular Formula

C21H20O12

Molecular Mass

464.38

Cite this Page

(2R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5-hydroxy-4-oxo-2H-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=133360-47-1 (retrieved 2024-05-18) (CAS RN: 133360-47-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-5,13,16-19,21-24,26-28H,6H2,(H,29,30)/t13-,16+,17+,18-,19+,21-/m1/s1

InChIKey

InChIKey=YSORAXGDTRAEMV-ZJIWIORTSA-N

SMILES

O=C1C=2C(O[C@H](C1)C3=CC(O)=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)CC(OC3=C2)C4=CC=C(O)C(O)=C4)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (2R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl
  • β-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl, (R)-
  • (2R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid

Deleted or Replaced CAS Registry Numbers

478979-21-4

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