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_281 synonyms



Graphical representations:

lignin_cw_compound_281 image

Molecular Formula: C20 H26 O6

Natural Isotopic Abundance Mass: 362.41684

Mono-Isotopic Molecular Masses:

  • C12N14: 362.1729385672
  • C13N14: 382.2400353232
  • C12N15: 362.1729385672
  • C13N15: 382.2400353232

InCHi String: InChI=1/C20H26O6/c1-5-15(21)11-7-13(19(23)17(9-11)25-3)14-8-12(16(22)6-2)10-18(26-4)20(14)24/h7-10,15-16,21-24H,5-6H2,1-4H3

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

To be defined

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 281
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.