Lignin_cw_compound_2028

Lignin_cw_compound_2028 bmse010470 - Data

Lignin_cw_compound_2028 synonyms

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

Wikipedia:

Graphical representations:

lignin_cw_compound_2028

View large 3D structure

Molecular Formula: C20H20O7

Natural Isotopic Abundance Mass: 372.3686

Mono-Isotopic Molecular Masses:

  • C12N14: 372.1209029967
  • C13N14: 392.1879997527
  • C12N15: 372.1209029967
  • C13N15: 392.1879997527

InChI string: InChI=1/C20H20O7/c1-24-15-7-10(3-5-13(15)21)18-12-9-26-19(17(12)20(23)27-18)11-4-6-14(22)16(8-11)25-2/h3-8,12,17-19,21-22H,9H2,1-2H3

USDA_NMR_database: 2028

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)