Lignin_cw_compound_3042

Lignin_cw_compound_3042 bmse010362 - Data

Lignin_cw_compound_3042 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3042

View large 3D structure

Molecular Formula: C26H26O12

Natural Isotopic Abundance Mass: 530.47744

Mono-Isotopic Molecular Masses:

  • C12N14: 530.1424262998
  • C13N14: 556.2296520826
  • C12N15: 530.1424262998
  • C13N15: 556.2296520826

InChI string: InChI=1S/C26H26O12/c1-11(27)35-23-15(31-3)7-13(8-16(23)32-4)21-19-20(26(30)37-21)22(38-25(19)29)14-9-17(33-5)24(36-12(2)28)18(10-14)34-6/h7-10,19-22H,1-6H3/t19-,20-,21-,22+/m0/s1

USDA_NMR_database: 3042

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)