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_3007 synonyms

Acetic acid 3-acetoxy-2,3-bis-(4-acetoxy-3-methoxyphenyl)propyl ester


Graphical representations:


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Molecular Formula: C26H28O10

Natural Isotopic Abundance Mass: 500.49452

Mono-Isotopic Molecular Masses:

  • C12N14: 500.1682471198
  • C13N14: 526.2554729026
  • C12N15: 500.1682471198
  • C13N15: 526.2554729026

InChI string: InChI=1/C26H28O10/c1-15(13-27)34-22-10-8-20(12-25(22)32-6)26(36-18(4)30)21(14-33-16(2)28)19-7-9-23(35-17(3)29)24(11-19)31-5/h7-13,21,26H,1,14H2,2-6H3

USDA_NMR_database: 3007

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,