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_246

lignin_cw_compound_246 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_246 image

Molecular Formula: C24 H28 O10

Natural Isotopic Abundance Mass: 476.47312

Mono-Isotopic Molecular Masses:

  • C12N14: 476.1682471198
  • C13N14: 500.248763227
  • C12N15: 476.1682471198
  • C13N15: 500.248763227

InCHi String: InChI=1/C24H28O10/c1-13-8-17(28-4)24(18(9-13)29-5)34-21(12-32-14(2)25)22(27)16-10-19(30-6)23(33-15(3)26)20(11-16)31-7/h8-11,21H,12H2,1-7H3

Canonical and Isomeric SMILES: CC1=CC(=C(C(=C1)OC)OC(COC(C)=O)C(C2=CC(=C(C(=C2)OC)OC(C)=O)OC)=O)OC

Beilstein
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 246
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.