(2R,3R)-2-[[5,8-Dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-3-hydroxybutanedioic acid

CAS Registry Number®

194664-54-5
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CAS Name

(2R,3R)-2-[[5,8-Dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-3-hydroxybutanedioic acid

Molecular Formula

C19H14O11

Molecular Mass

418.31

Cite this Page

(2R,3R)-2-[[5,8-Dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-3-hydroxybutanedioic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=194664-54-5 (retrieved 2024-09-20) (CAS RN: 194664-54-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H14O11/c20-8-3-1-7(2-4-8)9-6-29-16-12(13(9)22)10(21)5-11(14(16)23)30-17(19(27)28)15(24)18(25)26/h1-6,15,17,20-21,23-24H,(H,25,26)(H,27,28)/t15-,17-/m1/s1

InChIKey

InChIKey=DGJSSBCAHRQASY-NVXWUHKLSA-N

SMILES

OC1=C2C(C(=O)C(=CO2)C3=CC=C(O)C=C3)=C(O)C=C1O[C@H]([C@H](C(O)=O)O)C(O)=O

Canonical SMILES

O=C(O)C(O)C(OC1=CC(O)=C2C(=O)C(=COC2=C1O)C=3C=CC(O)=CC3)C(=O)O

Other Names for this Substance

  • Butanedioic acid, 2-[[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-3-hydroxy-, (2R,3R)-
  • Butanedioic acid, 2-[[5,8-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-3-hydroxy-, [R-(R*,R*)]-
  • (2R,3R)-2-[[5,8-Dihydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl]oxy]-3-hydroxybutanedioic acid