Biological Magnetic Resonance Data Bank

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


Graphical representations:

lignin_cw_compound_2066 image

Molecular Formula: C31 H30 O11

Natural Isotopic Abundance Mass: 578.5633

Mono-Isotopic Molecular Masses:

  • C12N14: 578.1788118061
  • C13N14: 609.2828117779
  • C12N15: 578.1788118061
  • C13N15: 609.2828117779

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OC1=CC=C(C=C1)C=CC(=O)OCC(C(C2=CC(=C(C(=C2)OC)OC(C)=O)OC)=O)OC3=CC=CC=C3OC

2-(4-Acetoxy-3,5-dimethoxybenzoyl)-2-(2-methoxyphenoxy)ethyl 4-acetoxycinnamate

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 2066
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.