Lignin_cw_compound_284

Lignin_cw_compound_284 bmse010191 - Data

Lignin_cw_compound_284 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_284

View large 3D structure

Molecular Formula: C30H38O9

Natural Isotopic Abundance Mass: 542.61732

Mono-Isotopic Molecular Masses:

  • C12N14: 542.2515828187
  • C13N14: 572.3522279527
  • C12N15: 542.2515828187
  • C13N15: 572.3522279527

InChI string: InChI=1S/C30H38O9/c1-7-21(31)16-10-19(28(34)24(12-16)36-4)20-11-17(22(32)8-2)15-27(38-6)30(20)39-26-14-18(23(33)9-3)13-25(37-5)29(26)35/h10-15,21-23,31-35H,7-9H2,1-6H3/t21-,22-,23+/m1/s1

USDA_NMR_database: 284

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)