EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60812 - gentiobiose octaacetate

ChEBI IDCHEBI:60812
ChEBI Namegentiobiose octaacetate
Stars
DefinitionAn acetate ester formed by total acetylation of gentiobiose.
Last Modified15 March 2018
Submitterzjosephs
DownloadsMolfile
FormulaC28H38O19
Net Charge0
Average Mass678.593
Monoisotopic Mass678.20073
SMILESCC(=O)OC[C@H]1O[C@@H](OC[C@H]2OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
WURCSWURCS=2.0/2,2,1/[a2122h-1x_1-5_1*OCC/3=O_2*OCC/3=O_3*OCC/3=O_4*OCC/3=O][a2122h-1b_1-5_2*OCC/3=O_3*OCC/3=O_4*OCC/3=O_6*OCC/3=O]/1-2/a6-b1
InChIInChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-12(2)30)23(41-14(4)32)25(43-16(6)34)27(46-19)38-10-20-22(40-13(3)31)24(42-15(5)33)26(44-17(7)35)28(47-20)45-18(8)36/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28?/m1/s1
InChIKeyGNTLGGDVHFXGLI-UPIDMYHSSA-N
ChEBI Ontology
Outgoing Relation(s)
gentiobiose octaacetate (CHEBI:60812) is a acetate ester (CHEBI:47622)
gentiobiose octaacetate (CHEBI:60812) is a disaccharide (CHEBI:36233)
IUPAC Name 
1,2,3,4-tetra-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-D-glucopyranose
Synonyms  Source
amygdalose octaacetateChEBI
gentiobiose peracetateChEBI
octa-O-acetylgentiobioseChEBI
Registry NumbersSources
Reaxys:5234149Reaxys
Citations