bmse010520 Guaiacylglycerol-B-syringyl ether at BMRB

Guaiacylglycerol-B-syringyl ether
bmse010520 - data

Guaiacylglycerol-B-syringyl ether

Guaiacylglycerol-B-syringyl ether; 1-(4-hydroxy-3-methoxyphenyl)-2-(2,6-dimethoxyphenoxy)propane-1,3-diol

Molecular Formula: C18 H22 O7
Natural Isotopic Abundance Mass: 350.36308
Mono-Isotopic Molecular Masses: C12N14: 350.1365530609; C13N14: 368.1969401413; C12N15: 350.1365530609; C13N15: 368.1969401413

Guaiacylglycerol-B-syringyl ether

InCHi String:
InChI=1/C18H22O7/c1-22-13-5-4-6-14(23-2)18(13)25-16(10-19)17(21)11-7-8-12(20)15(9-11)24-3/h4-9,16-17,19-21H,10H2,1-3H3

Canonical and Isomeric SMILES:
COC1=C(C(=CC=C1)OC)OC(CO)C(C2=CC(=C(C=C2)O)OC)O

Beilstein
Guaiacylglycerol-B-syringyl ether

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 179
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.