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_1030 image

Molecular Formula: C21 H24 O8

Natural Isotopic Abundance Mass: 404.41046

Mono-Isotopic Molecular Masses:

  • C12N14: 404.1471177472
  • C13N14: 425.217569341
  • C12N15: 404.1471177472
  • C13N15: 425.217569341

InCHi String:

Canonical and Isomeric SMILES: CC(=O)OCC(C(C1=CC(=C(C=C1)O)OC)OC(C)=O)OC2=CC=CC=C2OC

Acetic acid 3-acetoxy-3-(4-hydroxy-3-methoxyphenyl) -2-(2-methoxyphenoxy) propyl ester

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 1030
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.