BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Lignin_cw_compound_2019

Graphical representations:

lignin_cw_compound_2019 image

Molecular Formula: C24 H26 O8

Natural Isotopic Abundance Mass: 442.45844

Mono-Isotopic Molecular Masses:

  • C12N14: 442.1627678114
  • C13N14: 466.2432839186
  • C12N15: 442.1627678114
  • C13N15: 466.2432839186

InCHi String: InChI=1/C24H26O8/c1-5-31-22(26)10-8-16-11-17(23(27)21(14-16)30-4)18(24(28)32-6-2)12-15-7-9-19(25)20(13-15)29-3/h7-14,25,27H,5-6H2,1-4H3/b10-8+,18-12-

Canonical and Isomeric SMILES: CCOC(C=CC1=CC(=C(C(=C1)OC)O)C(=CC2=CC(=C(C=C2)O)OC)C(=O)OCC)=O

Beilstein
3-(4-Hydroxy-3-methoxyphenyl)-2-[2-hydroxy-3-methoxy-5-(2-propoxycarbonylvinyl)phenyl] acrylic acid ethyl 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 2019
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.