Lignin_cw_compound_2081

Lignin_cw_compound_2081 bmse010329 - Data

Lignin_cw_compound_2081 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_2081

View large 3D structure

Molecular Formula: C32H32O12

Natural Isotopic Abundance Mass: 608.58928

Mono-Isotopic Molecular Masses:

  • C12N14: 608.1893764924
  • C13N14: 640.296731302
  • C12N15: 608.1893764924
  • C13N15: 640.296731302

InChI string: InChI=1S/C32H32O12/c1-19(33)42-23-13-10-21(11-14-23)12-15-29(35)41-18-28(44-31-24(37-3)8-7-9-25(31)38-4)30(36)22-16-26(39-5)32(43-20(2)34)27(17-22)40-6/h7-17,28H,18H2,1-6H3/b15-12+/t28-/m1/s1

USDA_NMR_database: 2081

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)