4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol bmse001157 - Data

4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol synonyms

Nordihydroguaiaretic acid

Wikipedia:

Graphical representations:

4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

View large 3D structure

Molecular Formula: C18H22O4

Natural Isotopic Abundance Mass: 302.36488

Mono-Isotopic Molecular Masses:

  • C12N14: 302.151809184001
  • C13N14: 320.212196268001
  • C12N15: 302.151809184001
  • C13N15: 320.212196268001

InChI string: InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+

MMCD: cq_07384
PubChem Compound (CID): 71398

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)