bmse010352 lignin_cw_compound

lignin_cw_compound_3028
bmse010352 - data

lignin_cw_compound_3028

3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2,5-dimethoxy-4-propylphenoxy)propan-1-ol

Molecular Formula: C22 H30 O7
Natural Isotopic Abundance Mass: 406.4694
Mono-Isotopic Molecular Masses: C12N14: 406.1991533177; C13N14: 428.2729597493; C12N15: 406.1991533177; C13N15: 428.2729597493

lignin_cw_compound_3028

InCHi String:
InChI=1/C22H30O7/c1-6-7-14-9-19(27-4)22(20(10-14)28-5)29-16(13-23)8-15-11-17(25-2)21(24)18(12-15)26-3/h9-12,16,23-24H,6-8,13H2,1-5H3

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

Beilstein
3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(2,5-dimethoxy-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 3028
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.