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L-allo-8-Nonulosonic acid, 31,6-anhydro-4,5-O-cyclohexylidene-2,3,7,9-tetradeoxy-3-(hydroxymethyl)-, methyl ester
SpectraBase Compound ID 3SNnXYKrcY3
InChI InChI=1S/C17H26O6/c1-11(18)8-13-16-15(12(10-21-13)9-14(19)20-2)22-17(23-16)6-4-3-5-7-17/h12-13,15-16H,3-10H2,1-2H3/t12-,13-,15+,16-/m0/s1
InChIKey JQURWYPOOOSMOM-UGQVUOCMSA-N
Mol Weight 326.39 g/mol
Molecular Formula C17H26O6
Exact Mass 326.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Cr8FhnbwwU
Name L-allo-8-Nonulosonic acid, 31,6-anhydro-4,5-O-cyclohexylidene-2,3,7,9-tetradeoxy-3-(hydroxymethyl)-, methyl ester
CAS Registry Number 100703-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O6
InChI InChI=1S/C17H26O6/c1-11(18)8-13-16-15(12(10-21-13)9-14(19)20-2)22-17(23-16)6-4-3-5-7-17/h12-13,15-16H,3-10H2,1-2H3/t12-,13-,15+,16-/m0/s1
InChIKey JQURWYPOOOSMOM-UGQVUOCMSA-N
Molecular Weight 326.389 g/mol
SMILES [C@]12([C@](OC3(O2)CCCCC3)([C@@](CC(=O)OC)(CO[C@]1(CC(=O)C)[H])[H])[H])[H]
SPLASH splash10-01tc-0779000000-b1b1b5ac99e6a73c668e
Source of Spectrum J-53-5918-41
Synonyms Spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyran], L-allo-8-nonulosonic acid deriv. Methyl 2-[(3aS,4S,7S,7aR)-4-(2-oxopropyl)-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-7-yl]acetate Methyl[2(S)-(2-oxopropyl)-3(S),4(R)-(cyclohexylidenedioxy)tetrahydropyran-5(S)-yl]acetate
Wiley ID 1324673