bmse010049 Pinoresinol diacetate at BMRB

Pinoresinol diacetate

Pinoresinol diacetate; Acetic acid 4-[4-(4-acetoxy-3-methoxyphenyl) tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl ester

Molecular Formula: C24 H26 O8
Natural Isotopic Abundance Mass: 442.45844
Mono-Isotopic Molecular Masses: C12N14: 442.1627678114; C13N14: 466.2432839186; C12N15: 442.1627678114; C13N15: 466.2432839186

Pinoresinol diacetate

InCHi String:
InChI=1/C24H26O8/c1-13(25)31-19-7-5-15(9-21(19)27-3)23-17-11-30-24(18(17)12-29-23)16-6-8-20(32-14(2)26)22(10-16)28-4/h5-10,17-18,23-24H,11-12H2,1-4H3

Canonical and Isomeric SMILES:
CC(=O)OC1=C(C=C(C=C1)C4C3COC(C2=CC(=C(C=C2)OC(C)=O)OC)C3CO4)OC

Beilstein
Pinoresinol diacetate

PubChem Substance (SID):   111677943
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 109
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.