CHEBI:60812 - gentiobiose octaacetate

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ChEBI Name gentiobiose octaacetate ChEBI ID CHEBI:60812 Definition An acetate ester formed by total acetylation of gentiobiose. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C28H38O19 Net Charge 0 Average Mass 678.58990 Monoisotopic Mass 678.20073 InChI InChI=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 InChIKey GNTLGGDVHFXGLI-UPIDMYHSSA-N SMILES CC(=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 ChEBI Ontology Outgoing 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 Sources amygdalose octaacetate ChEBI gentiobiose peracetate ChEBI octa-O-acetylgentiobiose ChEBI Registry Number Type Source 5234149 Reaxys Registry Number Reaxys Citation Type Source 7691963 PubMed citation Europe PMC Last Modified 15 March 2018