bmse010252 lignin_cw_compound

lignin_cw_compound_91
bmse010252 - data

lignin_cw_compound_91

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

Molecular Formula: C19 H24 O7
Natural Isotopic Abundance Mass: 364.38966
Mono-Isotopic Molecular Masses: C12N14: 364.1522031251; C13N14: 383.2159450433; C12N15: 364.1522031251; C13N15: 383.2159450433

lignin_cw_compound_91

InCHi String:
InChI=1/C19H24O7/c1-11(21)12-4-6-14(7-5-12)26-17(10-20)18(22)13-8-15(24-2)19(23)16(9-13)25-3/h4-9,11,17-18,20-23H,10H2,1-3H3

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

Beilstein
1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]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 91
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.