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_278 synonyms



Graphical representations:


View large 3D structure

Molecular Formula: C38H44O13

Natural Isotopic Abundance Mass: 708.74816

Mono-Isotopic Molecular Masses:

  • C12N14: 708.2781914997
  • C13N14: 746.4056753361
  • C12N15: 708.2781914997
  • C13N15: 746.4056753361

InChI string: InChI=1S/C38H44O13/c1-10-29(47-21(4)40)25-14-27-28-15-26(30(11-2)48-22(5)41)18-34(45-9)38(28)51-36(24-12-13-31(49-23(6)42)32(16-24)43-7)35(19-46-20(3)39)50-37(27)33(17-25)44-8/h12-18,29-30,35-36H,10-11,19H2,1-9H3/t29-,30+,35-,36+/m0/s1

USDA_NMR_database: 278

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,