Lignin_cw_compound_2035

Lignin_cw_compound_2035 bmse010302 - Data

Lignin_cw_compound_2035 synonyms

Dimethyl 7-hydroxy-6-methoxy-1-(4-hydroxy-3-methoxyphenyl)-trans-1,2-dihydronaphtlalene-2,3-dicarboxylate

Wikipedia:

Graphical representations:

lignin_cw_compound_2035

View large 3D structure

Molecular Formula: C22H22O8

Natural Isotopic Abundance Mass: 414.40528

Mono-Isotopic Molecular Masses:

  • C12N14: 414.131467683
  • C13N14: 436.2052741146
  • C12N15: 414.131467683
  • C13N15: 436.2052741146

InChI string: InChI=1S/C22H22O8/c1-27-17-8-11(5-6-15(17)23)19-13-10-16(24)18(28-2)9-12(13)7-14(21(25)29-3)20(19)22(26)30-4/h5-10,19-20,23-24H,1-4H3/t19-,20-/m0/s1

USDA_NMR_database: 2035

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)