Lignin_cw_compound_137

Lignin_cw_compound_137 bmse010425 - Data

Lignin_cw_compound_137 synonyms

1,3-diacetoxy-1-(4-acetoxy-3-methoxyphenyl)-2-[4-(1-acetoxyethyl)phenoxy] propane

Wikipedia:

Graphical representations:

lignin_cw_compound_137

View large 3D structure

Molecular Formula: C26H30O10

Natural Isotopic Abundance Mass: 502.5104

Mono-Isotopic Molecular Masses:

  • C12N14: 502.183897184
  • C13N14: 528.2711229668
  • C12N15: 502.183897184
  • C13N15: 528.2711229668

InChI string: InChI=1S/C26H30O10/c1-15(33-17(3)28)20-7-10-22(11-8-20)36-25(14-32-16(2)27)26(35-19(5)30)21-9-12-23(34-18(4)29)24(13-21)31-6/h7-13,15,25-26H,14H2,1-6H3/t15-,25+,26+/m1/s1

USDA_NMR_database: 137

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)