bmse010435 H-b-G-AcO at BMRB

H-b-G-AcO
bmse010435 - data

H-b-G-AcO

Molecular Formula: C23 H26 O8
Natural Isotopic Abundance Mass: 430.44774
Mono-Isotopic Molecular Masses: C12N14: 430.1627678114; C13N14: 453.2399290808; C12N15: 430.1627678114; C13N15: 453.2399290808

H-b-G-AcO

InCHi String:
InChI=1/C26H30O12/c1-14(28)35-13-23(38-26-19(31-4)8-17(12-27)9-20(26)32-5)24(36-15(2)29)18-10-21(33-6)25(37-16(3)30)22(11-18)34-7/h8-12,23-24H,13H2,1-7H3

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

Beilstein
H-b?G

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 238
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.