Sucrose octaacetate

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Systematic / IUPAC Name: 1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside

ID: Reference7900

Other Names: α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, tetraacetate;
α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, tetracetate;
1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl-α-D-glucopyranoside tetraacetate;
2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose;
D-(+)-Saccharose octaacetate ; more

Formula: C28H38O19

Class: Extractables/Leachables

Spectral Data

Sucrose octaacetate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 315
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 5/9/2018 12:04:12 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C28H38O19/c1-12(29)37-9-20-22(40-15(4)32)24(42-17(6)34)25(43-18(7)35)27(45-20)47-28(11-39-14(3)31)26(44-19(8)36)23(41-16(5)33)21(46-28)10-38-13(2)30/h20-27H,9-11H2,1-8H3/t20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1
InChI Key ZIJKGAXBCRWEOL-SAXBRCJISA-N
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
CAS 126147
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Other Names α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, tetraacetate;
α-D-Glucopyranoside, 1,3,4,6-tetra-O-acetyl-β-D-fructofuranosyl, tetracetate;
1,3,4,6-Tetra-O-acetyl-β-D-fructofuranosyl-α-D-glucopyranoside tetraacetate;
2,3,4,6,1',3',4',6'-Octa-O-acetylsucrose;
D-(+)-Saccharose octaacetate;
Octa-O-acetyl D-(+)-sucrose;
Octa-O-acetylsucrose;
Octaacetylsucrose;
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-(((2S,3S,4R,5R)-3,4-diacetoxy-2,5-bis(acetoxymethyl)tetrahydrofuran-2-yl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate;
[(2R,3R,4S,5R,6R)-3,4,5-Triacetyloxy-6-[(2S,3S,4R,5R)-3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl acetate

In Other Databases

Wikipedia Sucrose octaacetate
KEGG D05935
ChEMBL CHEMBL2105790
ChemSpider 29073
PubChem 31340
ChemIDPlus 000126147