BMRB

Biological Magnetic Resonance Data Bank


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

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol synonyms

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol

Wikipedia:

Graphical representations:

1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol
 image

Molecular Formula: C21 H28 O9

Natural Isotopic Abundance Mass: 424.44162

Mono-Isotopic Molecular Masses:

  • C12N14: 424.1733324977
  • C13N14: 445.2437840915
  • C12N15: 424.1733324977
  • C13N15: 445.2437840915

InCHi String: InChI=1/C21H28O9/c1-11(23)12-6-16(28-4)21(17(7-12)29-5)30-18(10-22)19(24)13-8-14(26-2)20(25)15(9-13)27-3/h6-9,11,18-19,22-25H,10H2,1-5H3

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

Beilstein
1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol

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 89
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.