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.alpha.-D-Xylofuranose, 3-C-[(carboxyoxy)methyl]-, intramol. 3,3-ester, 1,2-diacetate 5-benzoate
SpectraBase Compound ID AeBgtpKJDjA
InChI InChI=1S/C18H18O10/c1-10(19)25-14-16(26-11(2)20)27-13(18(14)9-24-17(22)28-18)8-23-15(21)12-6-4-3-5-7-12/h3-7,13-14,16H,8-9H2,1-2H3/t13-,14+,16+,18+/m1/s1
InChIKey RHRSFXITJAYNCY-OAOQPFQOSA-N
Mol Weight 394.33 g/mol
Molecular Formula C18H18O10
Exact Mass 394.089997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SsMVm2Ga7L
Name .alpha.-D-Xylofuranose, 3-C-[(carboxyoxy)methyl]-, intramol. 3,3-ester, 1,2-diacetate 5-benzoate
Alternate Name(s) 1,3,7-Trioxaspiro[4.4]nonane, .alpha.-D-xylofuranose deriv. 1,2-Di-O-acetyl-5-O-benzoyl-3,3(1)-carbonyl-3-hydroxymethyl-.alpha.- and -.beta.-D-xylofuranose [(5S,6R,8R,9R)-8,9-bis(acetyloxy)-2-oxo-1,3,7-trioxaspiro[4.4]non-6-yl]methyl benzoate
CAS Registry Number 70723-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O10
InChI InChI=1S/C18H18O10/c1-10(19)25-14-16(26-11(2)20)27-13(18(14)9-24-17(22)28-18)8-23-15(21)12-6-4-3-5-7-12/h3-7,13-14,16H,8-9H2,1-2H3/t13-,14+,16+,18+/m1/s1
InChIKey RHRSFXITJAYNCY-OAOQPFQOSA-N
Molecular Weight 394.332 g/mol
SMILES [C@]12([C@]([C@@](OC(=O)C)(O[C@@]2(COC(=O)c2ccccc2)[H])[H])(OC(=O)C)[H])OC(=O)OC1
SPLASH splash10-0a4i-0950000000-2cba349fb274581e31c7
Source of Spectrum H-62-693-0
Wiley ID 1366503