Dataset

(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one[1]

This dataset contains NMR spectra obtained for the sample containing (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one

Chemical Information

molecular Image
InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
SMILES COC1=C(O)C=CC(/C=C/C(=O)/C=C(O)/C=C/C2=CC=C(O)C(OC)=C2)=C1
InChI Key ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula C21H20O6
Exact Mass 368.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p42.s1324.d5835
License URL https://creativecommons.org/licenses/by/4.0/legalcode
Source https://nmrxiv.org/D5835
Version
Author Peter Spiteller
Maintainer
Language english
MetadataPublished 2025-08-31T17:42:30.000000Z
Related Molecule
Field Value
Measurement Technique
Measurement Variables
NMR solvent :

acquisition nucleus :

NMR spectrum by dimensionality :

NMR probe :

Temperature : K

magnetic field strength : Tesla

number of scans : scans

nuclear magnetic resonance pulse sequence :

Spectral Width :

number of data points : points

relaxation time measurement : seconds

Data-Source Molecule ID Data-Source
242412 surechembl
29370884 surechembl
5281767 pubchem
PD000922 probes_and_drugs
PD132742 probes_and_drugs
BINMEQ CCDC
67707 brenda
343334 bindingdb
343335 bindingdb
Molport-003-665-679 molport
The data in this table is sourced from UniChem at EBI.