Lignin_cw_compound_32

Lignin_cw_compound_32 bmse010388 - Data

Lignin_cw_compound_32 synonyms

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

Wikipedia:

Graphical representations:

lignin_cw_compound_32

View large 3D structure

Molecular Formula: C25H30O9

Natural Isotopic Abundance Mass: 474.5003

Mono-Isotopic Molecular Masses:

  • C12N14: 474.1889825619
  • C13N14: 499.2728535069
  • C12N15: 474.1889825619
  • C13N15: 499.2728535069

InChI string: InChI=1S/C25H30O9/c1-15(32-17(3)27)19-7-10-21(11-8-19)34-24(14-31-16(2)26)25(33-18(4)28)20-9-12-22(29-5)23(13-20)30-6/h7-13,15,24-25H,14H2,1-6H3/t15-,24+,25+/m1/s1

USDA_NMR_database: 32

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)