Lignin_cw_compound_2024

Lignin_cw_compound_2024 synonyms

Veratrylglycerol-?-dehydrodiconiferyl-?-coniferyl-bis-ether peracetate, diastereomeric mixture

Wikipedia:

Graphical representations:

lignin_cw_compound_2024

View large 3D structure

Molecular Formula: C48H52O16

Natural Isotopic Abundance Mass: 884.91688

Mono-Isotopic Molecular Masses:

  • C12N14: 884.3255356228
  • C13N14: 932.4865678372
  • C12N15: 884.3255356228
  • C13N15: 932.4865678372

InChI string: InChI=1/C49H54O16/c1-29(50)59-20-10-12-33-14-17-40(42(23-33)55-6)63-46(28-62-32(4)53)48(36-15-18-39(54-5)43(26-36)56-7)64-41-19-16-35(25-44(41)57-8)47-38(27-61-31(3)52)37-22-34(13-11-21-60-30(2)51)24-45(58-9)49(37)65-47/h10-19,22-26,38,46-48H,20-21,27-28H2,1-9H3/b12-10+,13-11+/t38-,46+,47+,48+/m0/s1

USDA_NMR_database: 2024

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)