Lignin_cw_compound_272

Lignin_cw_compound_272 bmse010448 - Data

Lignin_cw_compound_272 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_272

View large 3D structure

Molecular Formula: C19H24O10

Natural Isotopic Abundance Mass: 412.38786

Mono-Isotopic Molecular Masses:

  • C12N14: 412.1369469914
  • C13N14: 431.2006889096
  • C12N15: 412.1369469914
  • C13N15: 431.2006889096

InChI string: InChI=1S/C19H24O10/c1-10(20)26-9-17(27-11(2)21)18(28-12(3)22)14-7-15(24-5)19(29-13(4)23)16(8-14)25-6/h7-8,17-18H,9H2,1-6H3/t17-,18+/m0/s1

USDA_NMR_database: 272

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)