Lignin_cw_compound_33

Lignin_cw_compound_33 bmse010389 - Data

Lignin_cw_compound_33 synonyms

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

Wikipedia:

Graphical representations:

lignin_cw_compound_33

View large 3D structure

Molecular Formula: C26H32O10

Natural Isotopic Abundance Mass: 504.52628

Mono-Isotopic Molecular Masses:

  • C12N14: 504.1995472482
  • C13N14: 530.286773031
  • C12N15: 504.1995472482
  • C13N15: 530.286773031

InChI string: InChI=1S/C26H32O10/c1-15(34-17(3)28)19-8-11-22(24(12-19)32-7)36-25(14-33-16(2)27)26(35-18(4)29)20-9-10-21(30-5)23(13-20)31-6/h8-13,15,25-26H,14H2,1-7H3/t15-,25-,26-/m0/s1

USDA_NMR_database: 33

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)