Lignin_cw_compound_3051

Lignin_cw_compound_3051 bmse010510 - Data

Lignin_cw_compound_3051 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3051

View large 3D structure

Molecular Formula: C27H30O8

Natural Isotopic Abundance Mass: 482.5223

Mono-Isotopic Molecular Masses:

  • C12N14: 482.1940679398
  • C13N14: 509.2846485604
  • C12N15: 482.1940679398
  • C13N15: 509.2846485604

InChI string: InChI=1S/C27H30O8/c1-5-33-27(29)26(35-25-21(30-2)12-9-13-22(25)31-3)24(28)19-14-15-20(23(16-19)32-4)34-17-18-10-7-6-8-11-18/h6-16,24,26,28H,5,17H2,1-4H3/t24-,26+/m1/s1

USDA_NMR_database: 3051

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)