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_2017

Lignin_cw_compound_2017 synonyms

Veratryglycerol-alpha-dehydrodiconifyl-beta-con.ether

Wikipedia:

Graphical representations:

lignin_cw_compound_2017 image

Molecular Formula: C40 H44 O12

Natural Isotopic Abundance Mass: 716.77016

Mono-Isotopic Molecular Masses:

  • C12N14: 716.2832768776
  • C13N14: 756.4174703896
  • C12N15: 716.2832768776
  • C13N15: 756.4174703896

InCHi String:

Canonical and Isomeric SMILES: COC1=C(C=C(C=C1)[C@H]([C@H](CO)OC2=C(C=C(C=CCO)C=C2)OC)OC3=C(C=C(C=C3)[C@@H]5[C@@H](CO)C4=C(C(=CC(=C4)C=CCO)OC)O5)OC)OC

Beilstein
Veratryglycerol-alpha-dehydrodiconifyl-beta-con.ether

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 2017
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.