BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol

3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol synonyms

3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol

Wikipedia:

Graphical representations:

3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol image

Molecular Formula: C20 H26 O5

Natural Isotopic Abundance Mass: 346.41744

Mono-Isotopic Molecular Masses:

  • C12N14: 346.1780239451
  • C13N14: 366.2451207011
  • C12N15: 346.1780239451
  • C13N15: 366.2451207011

InCHi String: InChI=1/C20H26O5/c1-4-5-14-7-9-18(20(11-14)24-3)25-16(13-21)10-15-6-8-17(22)19(12-15)23-2/h6-9,11-12,16,21-22H,4-5,10,13H2,1-3H3

Canonical and Isomeric SMILES: CCCC1=CC(=C(C=C1)OC(CC2=CC(=C(C=C2)O)OC)CO)OC

Beilstein
3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 3025
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.