bmse010426 G-beta-S5 at BMRB

G-beta-S5
bmse010426 - data

G-beta-S5

G-?-S5; 1,3-diacetoxy-1-(4-acetoxy-3-methoxyphenyl)-2-[4-(1-acetoxyethyl)-2,6-dimethoxyphenoxy] propane

Molecular Formula: C29 H36 O11
Natural Isotopic Abundance Mass: 560.58954
Mono-Isotopic Molecular Masses: C12N14: 560.2257619987; C13N14: 589.3230522949; C12N15: 560.2257619987; C13N15: 589.3230522949

G-beta-S5

InCHi String:
InChI=1/C28H34O12/c1-15(37-17(3)30)21-12-24(34-7)28(25(13-21)35-8)40-26(14-36-16(2)29)27(39-19(5)32)20-9-10-22(38-18(4)31)23(11-20)33-6/h9-13,15,26-27H,14H2,1-8H3

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

Beilstein
G-?-S5

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 139
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.