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.alpha.-D-Allofuranose, 3-C-carboxy-1,2-O-(1-methylethylidene)-, 3,5-lactone, diacetate
SpectraBase Compound ID 4hXHBAjnyau
InChI InChI=1S/C14H18O9/c1-6(15)19-4-7-9-14(12(17)18,8(16)5-20-7)10-11(21-9)23-13(2,3)22-10/h7,9-11H,4-5H2,1-3H3,(H,17,18)/t7-,9-,10?,11-,14-/m1/s1
InChIKey NSDQDYIBHCCOQU-NCQAOFEZSA-N
Mol Weight 330.29 g/mol
Molecular Formula C14H18O9
Exact Mass 330.095082 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFWkflI04Co
Name .alpha.-D-Allofuranose, 3-C-carboxy-1,2-O-(1-methylethylidene)-, 3,5-lactone, diacetate
CAS Registry Number 51996-49-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O9
InChI InChI=1S/C14H18O9/c1-6(15)19-4-7-9-14(12(17)18,8(16)5-20-7)10-11(21-9)23-13(2,3)22-10/h7,9-11H,4-5H2,1-3H3,(H,17,18)/t7-,9-,10?,11-,14-/m1/s1
InChIKey NSDQDYIBHCCOQU-NCQAOFEZSA-N
Molecular Weight 330.289 g/mol
SMILES OC([C@@]12C3[C@@](OC(O3)(C)C)(O[C@@]1([C@@](COC(=O)C)(OCC2=O)[H])[H])[H])=O
SPLASH splash10-0006-9402000000-4b8e6ce7fe3b0731f6f9
Source of Spectrum AU-32-308-7
Synonyms Furo[3',4':4,5]furo[2,3-d]-1,3-dioxole, .alpha.-D-allofuranose deriv. (3aR,4aS,5R,8aR)-5-[(acetyloxy)methyl]-2,2-dimethyl-8-oxohexahydro-8aH-[1,3]dioxolo[4',5':4,5]furo[2,3-c]pyran-8a-carboxylic acid 3,6-Di-O-acetyl-3-c-carboxy-1,2-O-isopropylidene-.alpha.-D-allofuranose-3,5-lactone
Wiley ID 1327503