Lignin_cw_compound_2026

Lignin_cw_compound_2026 bmse010299 - Data

Lignin_cw_compound_2026 synonyms

11-hydroxy-(4-hydroxy-3methoxyphenyl)-10-methoxy-3a,4,6,6a-tetrahydro 3H-3,4-benzenofuro [3,4-c]f uran-1-one

Wikipedia:

Graphical representations:

lignin_cw_compound_2026

View large 3D structure

Molecular Formula: C20H18O7

Natural Isotopic Abundance Mass: 370.35272

Mono-Isotopic Molecular Masses:

  • C12N14: 370.1052529325
  • C13N14: 390.1723496885
  • C12N15: 370.1052529325
  • C13N15: 390.1723496885

InChI string: InChI=1/C20H18O7/c1-24-13-5-8(3-4-11(13)21)17-16-15-18(26-17)9-6-12(22)14(25-2)7-10(9)19(15)27-20(16)23/h3-7,15-19,21-22H,1-2H3/t15-,16+,17-,18-,19+/m0/s1

USDA_NMR_database: 2026

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)