bmse010140 lignin_cw_compound

lignin_cw_compound_213

Syringylgycerol-B-vanillyl alcohol ether tetra-acetate; 1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxymethyl)-2-methoxyphenoxy]

Molecular Formula: C27 H32 O12
Natural Isotopic Abundance Mass: 548.53578
Mono-Isotopic Molecular Masses: C12N14: 548.1893764924; C13N14: 575.279957113; C12N15: 548.1893764924; C13N15: 575.279957113

lignin_cw_compound_213

InCHi String:
InChI=1/C27H32O12/c1-15(28)35-13-19-8-9-21(22(10-19)32-5)39-25(14-36-16(2)29)26(37-17(3)30)20-11-23(33-6)27(38-18(4)31)24(12-20)34-7/h8-12,25-26H,13-14H2,1-7H3

Canonical and Isomeric SMILES:
CC(=O)OCC1=CC(=C(C=C1)OC(COC(C)=O)C(C2=CC(=C(C(=C2)OC)OC(C)=O)OC)OC(C)=O)OC

Beilstein
Syringylgycerol-B-vanillyl alcohol ether tetra-acetate

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 213
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.