bmse010385 lignin_cw_compound

lignin_cw_compound_3
bmse010385 - data

lignin_cw_compound_3

Veratrylglycerol-B-guaiacyl ether diacetate; 1,3-diacetoxy-1-(3,4-dimethoxyphenyl)-2-(2-methoxyphenoxy)propane

Molecular Formula: C22 H26 O8
Natural Isotopic Abundance Mass: 418.43704
Mono-Isotopic Molecular Masses: C12N14: 418.1627678114; C13N14: 440.236574243; C12N15: 418.1627678114; C13N15: 440.236574243

lignin_cw_compound_3

InCHi String:
InChI=1/C22H26O8/c1-14(23)28-13-21(30-19-9-7-6-8-17(19)25-3)22(29-15(2)24)16-10-11-18(26-4)20(12-16)27-5/h6-12,21-22H,13H2,1-5H3

Canonical and Isomeric SMILES:
CC(=O)OCC(C(C1=CC(=C(C=C1)OC)OC)OC(C)=O)OC2=CC=CC=C2OC

Beilstein
Veratrylglycerol-B-guaiacyl ether diacetate

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 3
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.