1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy]

1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy] bmse010258 - Data

Lignin_cw_compound_97 synonyms

Wikipedia:

Graphical representations:

lignin_cw_compound_97

View large 3D structure

Molecular Formula: C28H34O12

Natural Isotopic Abundance Mass: 562.56236

Mono-Isotopic Molecular Masses:

  • C12N14: 562.2050265566
  • C13N14: 590.298962015
  • C12N15: 562.2050265566
  • C13N15: 590.298962015

InChI string: InChI=1S/C28H34O12/c1-15(37-17(3)30)20-9-10-22(23(11-20)33-6)40-26(14-36-16(2)29)27(38-18(4)31)21-12-24(34-7)28(39-19(5)32)25(13-21)35-8/h9-13,15,26-27H,14H2,1-8H3/t15-,26-,27-/m0/s1

USDA_NMR_database: 97

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, https://www.nature.com/articles/sdata201773)