Lignin_cw_compound_2030

Lignin_cw_compound_2030 bmse010472 - Data

Lignin_cw_compound_2030 synonyms

4-cis-8-cis-bis (4-hydroxy-3-methoxyphenyl)-3,7-dioxabicylclo[3-3-0] octan-2-one diacetate

Wikipedia:

Graphical representations:

lignin_cw_compound_2030

View large 3D structure

Molecular Formula: C24H24O9

Natural Isotopic Abundance Mass: 456.44196

Mono-Isotopic Molecular Masses:

  • C12N14: 456.1420323693
  • C13N14: 480.2225484765
  • C12N15: 456.1420323693
  • C13N15: 480.2225484765

InChI string: InChI=1S/C24H24O9/c1-12(25)31-17-7-5-14(9-19(17)28-3)22-16-11-30-23(21(16)24(27)33-22)15-6-8-18(32-13(2)26)20(10-15)29-4/h5-10,16,21-23H,11H2,1-4H3/t16-,21+,22+,23-/m1/s1

USDA_NMR_database: 2030

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)