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L-allo-8-Nonulosonic acid, 31,6-anhydro-2,3,7,9-tetradeoxy-3-(hydroxymethyl)-, methyl ester
SpectraBase Compound ID FFdHueCEBuM
InChI InChI=1S/C11H18O6/c1-6(12)3-8-11(15)10(14)7(5-17-8)4-9(13)16-2/h7-8,10-11,14-15H,3-5H2,1-2H3/t7-,8-,10+,11-/m0/s1
InChIKey QVHUWBRODDFVGK-HLFFCZDVSA-N
Mol Weight 246.26 g/mol
Molecular Formula C11H18O6
Exact Mass 246.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6vnKfBAAM3
Name L-allo-8-Nonulosonic acid, 31,6-anhydro-2,3,7,9-tetradeoxy-3-(hydroxymethyl)-, methyl ester
CAS Registry Number 100703-58-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O6
InChI InChI=1S/C11H18O6/c1-6(12)3-8-11(15)10(14)7(5-17-8)4-9(13)16-2/h7-8,10-11,14-15H,3-5H2,1-2H3/t7-,8-,10+,11-/m0/s1
InChIKey QVHUWBRODDFVGK-HLFFCZDVSA-N
Molecular Weight 246.259 g/mol
SMILES O[C@@]1([C@](CO[C@]([C@@]1(O)[H])(CC(=O)C)[H])(CC(=O)OC)[H])[H]
SPLASH splash10-0fdk-5940000000-4f209a52874c78434b2e
Source of Spectrum J-53-5918-40
Synonyms Methyl 2-[(3S,4R,5R,6S)-4,5-dihydroxy-6-(2-oxopropyl)oxan-3-yl]acetate Methyl[2(S)-(2-oxopropyl)-3(R),4(R)-dihydroxytetrahydropyran-5(S)-yl]acetate
Wiley ID 1248559