bmse010216 lignin_cw_compound

lignin_cw_compound_53
bmse010216 - data

lignin_cw_compound_53

2-(4-Acetyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone

Molecular Formula: C21 H24 O8
Natural Isotopic Abundance Mass: 404.41046
Mono-Isotopic Molecular Masses: C12N14: 404.1471177472; C13N14: 425.217569341; C12N15: 404.1471177472; C13N15: 425.217569341

lignin_cw_compound_53

InCHi String:
InChI=1/C21H24O8/c1-12(22)13-7-18(26-4)21(19(8-13)27-5)29-11-15(23)14-9-16(24-2)20(28-6)17(10-14)25-3/h7-10H,11H2,1-6H3

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

Beilstein
2-(4-Acetyl-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)ethanone

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 53
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.