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_138 image

Molecular Formula: C23 H26 O8

Natural Isotopic Abundance Mass: 430.44774

Mono-Isotopic Molecular Masses:

  • C12N14: 430.1627678114
  • C13N14: 453.2399290808
  • C12N15: 430.1627678114
  • C13N15: 453.2399290808

InCHi String: InChI=1/C23H26O8/c1-14(29-15(2)24)18-6-9-20(10-7-18)28-13-23(31-17(4)26)19-8-11-21(30-16(3)25)22(12-19)27-5/h6-12,14,23H,13H2,1-5H3

Canonical and Isomeric SMILES: SMILES_STRING

1-Acetoxy-1-(4-acetoxy-3-methoxyphenyl)2-[4-(1-acetoxyethyl)phenoxy] ethane

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 138
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.