Isotaxiresinol

Isotaxiresinol bmse010490 - Data

Isotaxiresinol synonyms

Wikipedia:

Graphical representations:

Isotaxiresinol

View large 3D structure

Molecular Formula: C29H32O11

Natural Isotopic Abundance Mass: 556.55778

Mono-Isotopic Molecular Masses:

  • C12N14: 556.1944618703
  • C13N14: 585.2917521665
  • C12N15: 556.1944618703
  • C13N15: 585.2917521665

InChI string: InChI=1S/C29H32O11/c1-15(30)36-13-22-9-21-11-26(35-6)28(40-19(5)34)12-23(21)29(24(22)14-37-16(2)31)20-7-8-25(38-17(3)32)27(10-20)39-18(4)33/h7-8,10-12,22,24,29H,9,13-14H2,1-6H3/t22-,24-,29-/m0/s1

USDA_NMR_database: 2069

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)