bmse010235 lignin_cw_compound

lignin_cw_compound_74
bmse010235 - data

lignin_cw_compound_74

Guaiacylglycerol-B-guaiacyl ether triacetate; 1-(4-acetoxy-3-methoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane

Molecular Formula: C23 H26 O9
Natural Isotopic Abundance Mass: 446.44714
Mono-Isotopic Molecular Masses: C12N14: 446.1576824335; C13N14: 469.2348437029; C12N15: 446.1576824335; C13N15: 469.2348437029

lignin_cw_compound_74

InCHi String:
InChI=1/C23H26O9/c1-14(24)29-13-22(32-19-9-7-6-8-18(19)27-4)23(31-16(3)26)17-10-11-20(30-15(2)25)21(12-17)28-5/h6-12,22-23H,13H2,1-5H3

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

Beilstein
Guaiacylglycerol-B-guaiacyl ether triacetate

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 74
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.