BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol

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 image

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+

SMILES:

PubChem Substance (SID):   n/a
PubChem Compound (CID):   71398
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MMCD cq_07384

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.