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.alpha.-D-arabino-2-Heptulopyranosidonic acid, methyl 3-deoxy-, methyl ester, 4,5-diacetate
SpectraBase Compound ID L9eVSsna4uH
InChI InChI=1S/C13H20O9/c1-7(15)20-9-5-13(19-4,12(17)18-3)22-10(6-14)11(9)21-8(2)16/h9-11,14H,5-6H2,1-4H3/t9-,10-,11+,13-/m1/s1
InChIKey PQTSYMMBNGUWKT-HNCHTBHHSA-N
Mol Weight 320.29 g/mol
Molecular Formula C13H20O9
Exact Mass 320.110732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94OtRBVvqzK
Name .alpha.-D-arabino-2-Heptulopyranosidonic acid, methyl 3-deoxy-, methyl ester, 4,5-diacetate
CAS Registry Number 118893-85-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O9
InChI InChI=1S/C13H20O9/c1-7(15)20-9-5-13(19-4,12(17)18-3)22-10(6-14)11(9)21-8(2)16/h9-11,14H,5-6H2,1-4H3/t9-,10-,11+,13-/m1/s1
InChIKey PQTSYMMBNGUWKT-HNCHTBHHSA-N
Molecular Weight 320.294 g/mol
SMILES OC[C@@]1([C@@](OC(=O)C)([C@@](C[C@@](O1)(C(=O)OC)OC)(OC(=O)C)[H])[H])[H]
SPLASH splash10-0006-9300000000-f87ec622232f6655c8aa
Source of Spectrum C-111-1864-6
Synonyms Dimethyl 4,5-di-O-acetyl-3-deoxy-.alpha.-D-arabino-hept-2-ulopyranosidonate Methyl (methyl 4,5-di-O-acetyl-3-deoxy-D-arabino-heptulopyranosid)onate
Wiley ID 1319745