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_3051

lignin_cw_compound_3051 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3051 image

Molecular Formula: C27 H30 O8

Natural Isotopic Abundance Mass: 482.5223

Mono-Isotopic Molecular Masses:

  • C12N14: 482.1940679398
  • C13N14: 509.2846485604
  • C12N15: 482.1940679398
  • C13N15: 509.2846485604

InCHi String: InChI=1/C27H30O8/c1-5-33-27(29)26(35-25-21(30-2)12-9-13-22(25)31-3)24(28)19-14-15-20(23(16-19)32-4)34-17-18-10-7-6-8-11-18/h6-16,24,26,28H,5,17H2,1-4H3

Canonical and Isomeric SMILES: CCOC(C(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)O)OC3=C(C=CC=C3OC)OC)=O

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 3051
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.