Lignin_cw_compound_2072

Lignin_cw_compound_2072 bmse010324 - Data

Lignin_cw_compound_2072 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2072

View large 3D structure

Molecular Formula: C28H30O10

Natural Isotopic Abundance Mass: 526.5318

Mono-Isotopic Molecular Masses:

  • C12N14: 526.183897184
  • C13N14: 554.2778326424
  • C12N15: 526.183897184
  • C13N15: 554.2778326424

InChI string: InChI=1S/C28H30O10/c1-33-20-6-5-7-21(34-2)28(20)38-24(16-37-25(30)13-10-17-8-11-19(29)12-9-17)26(31)18-14-22(35-3)27(32)23(15-18)36-4/h5-15,24,26,29,31-32H,16H2,1-4H3/b13-10+/t24-,26+/m1/s1

USDA_NMR_database: 2072

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)