bmse010433 S-b-S-AcO at BMRB

S-b-S-AcO
bmse010433 - data

S-b-S-AcO

Molecular Formula: C26 H32 O11
Natural Isotopic Abundance Mass: 520.52568
Mono-Isotopic Molecular Masses: C12N14: 520.1944618703; C13N14: 546.2816876531; C12N15: 520.1944618703; C13N15: 546.2816876531

S-b-S-AcO

InCHi String:
InChI=1/C26H32O11/c1-14-9-19(30-5)26(20(10-14)31-6)37-23(13-34-15(2)27)24(35-16(3)28)18-11-21(32-7)25(36-17(4)29)22(12-18)33-8/h9-12,23-24H,13H2,1-8H3

Canonical and Isomeric SMILES:
CC1=CC(=C(C(=C1)OC)OC(COC(C)=O)C(C2=CC(=C(C(=C2)OC)OC(C)=O)OC)OC(C)=O)OC

Beilstein
S-b-S-AcO

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 230
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.