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_29 image

Molecular Formula: C27 H34 O11

Natural Isotopic Abundance Mass: 534.55226

Mono-Isotopic Molecular Masses:

  • C12N14: 534.2101119345
  • C13N14: 561.3006925551
  • C12N15: 534.2101119345
  • C13N15: 561.3006925551

InCHi String: InChI=1S/C27H34O11/c1-15(36-17(3)29)20-12-23(33-7)27(24(13-20)34-8)38-25(14-35-16(2)28)26(37-18(4)30)19-9-10-21(31-5)22(11-19)32-6/h9-13,15,25-26H,14H2,1-8H3

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

Veratrylglycerol-B-syringol ether triacetate

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 29
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.