BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

lignin_cw_compound_22

lignin_cw_compound_22 synonyms

2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

Wikipedia:

Graphical representations:

lignin_cw_compound_22 image

Molecular Formula: C18 H20 O7

Natural Isotopic Abundance Mass: 348.3472

Mono-Isotopic Molecular Masses:

  • C12N14: 348.1209029967
  • C13N14: 366.1812900771
  • C12N15: 348.1209029967
  • C13N15: 366.1812900771

InCHi String: InChI=1S/C18H20O7/c1-21-13-6-5-7-14(22-2)18(13)25-10-12(19)11-8-15(23-3)17(20)16(9-11)24-4/h5-9,20H,10H2,1-4H3

Canonical and Isomeric SMILES: COC1=C(C(=CC=C1)OC)OCC(C2=CC(=C(C(=C2)OC)O)OC)=O

Beilstein
2-(2,6-Dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 22
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.