bmse010060 Syringylresinol diacetate at BMRB

Syringylresinol diacetate

Syringylresinol diacetate; Acetic acid 4-[4-(4-acetoxy-3,5-dimethoxyphenyl) tetrahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenyl ester

Molecular Formula: C26 H30 O10
Natural Isotopic Abundance Mass: 502.5104
Mono-Isotopic Molecular Masses: C12N14: 502.183897184; C13N14: 528.2711229668; C12N15: 502.183897184; C13N15: 528.2711229668

Syringylresinol diacetate

InCHi String:
InChI=1/C26H30O10/c1-13(27)35-25-19(29-3)7-15(8-20(25)30-4)23-17-11-34-24(18(17)12-33-23)16-9-21(31-5)26(36-14(2)28)22(10-16)32-6/h7-10,17-18,23-24H,11-12H2,1-6H3

Canonical and Isomeric SMILES:
CC(=O)OC1=C(C=C(C=C1OC)C4C3COC(C2=CC(=C(C(=C2)OC)OC(C)=O)OC)C3CO4)OC

Beilstein
Syringylresinol diacetate

PubChem Substance (SID):   111677953
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 123
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.