4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl-2,3,5,6-d4 β-D-glucopyranosiduronic acid
CAS Registry Number®
1420291-58-2
CAS Name
4-[(1E)-2-(3,5-Dihydroxyphenyl)ethenyl]phenyl-2,3,5,6-d4 β-D-glucopyranosiduronic acidMolecular Formula
C20H16D4O9Cite 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 ) (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
