4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl-2,3,5,6-d4 β-D-glucopyranosiduronic acid

CAS Registry Number®

1420291-58-2
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CAS Name

4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl-2,3,5,6-d4 β-D-glucopyranosiduronic acid

Molecular Formula

C20H16D4O9

Cite this Page

4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl-2,3,5,6-d4 β-D-glucopyranosiduronic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1420291-58-2 (retrieved 2024-07-08) (CAS RN: 1420291-58-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H20O9/c21-12-7-11(8-13(22)9-12)2-1-10-3-5-14(6-4-10)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20-25H,(H,26,27)/b2-1+/t15-,16-,17+,18-,20+/m0/s1/i3D,4D,5D,6D

InChIKey

InChIKey=CDEBVTGYVFHDMA-IBVOQACESA-N

SMILES

O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=C(C(=C(/C=C/C3=CC(O)=CC(O)=C3)C(=C2[2H])[2H])[2H])[2H]

Canonical SMILES

O=C(O)C1OC(OC2=CC=C(C=C2)C=CC=3C=C(O)C=C(O)C3)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl-2,3,5,6-d4
  • 4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl-2,3,5,6-d4 β-D-glucopyranosiduronic acid