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:


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Molecular Formula: C20H26O6

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=1S/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/t15-,16-/m1/s1

USDA_NMR_database: 281

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,