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Hexyl 3-O-acetyl-6-(acetylamino)-2-O-benzoyl-4,6-dideoxy-1-thiohexopyranoside
SpectraBase Compound ID 44AYnh9WowA
InChI InChI=1S/C23H33NO6S/c1-4-5-6-10-13-31-23-21(30-22(27)18-11-8-7-9-12-18)20(28-17(3)26)14-19(29-23)15-24-16(2)25/h7-9,11-12,19-21,23H,4-6,10,13-15H2,1-3H3,(H,24,25)
InChIKey WVBZQXIBLRRQIR-UHFFFAOYSA-N
Mol Weight 451.6 g/mol
Molecular Formula C23H33NO6S
Exact Mass 451.202859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlHXlwoZHer
Name Hexyl 3-O-acetyl-6-(acetylamino)-2-O-benzoyl-4,6-dideoxy-1-thiohexopyranoside
CAS Registry Number 77904-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33NO6S
InChI InChI=1S/C23H33NO6S/c1-4-5-6-10-13-31-23-21(30-22(27)18-11-8-7-9-12-18)20(28-17(3)26)14-19(29-23)15-24-16(2)25/h7-9,11-12,19-21,23H,4-6,10,13-15H2,1-3H3,(H,24,25)
InChIKey WVBZQXIBLRRQIR-UHFFFAOYSA-N
Molecular Weight 451.578 g/mol
SMILES N(CC1CC(C(C(O1)SCCCCCC)OC(c1ccccc1)=O)OC(C)=O)C(C)=O
SPLASH splash10-0a4i-9710000000-642b2987e55a55d9744f
Source of Spectrum W5-0-0-0
Synonyms .alpha.-DL-Lyxo-hexopyranoside, hexyl 6-(acetylamino)-4,6-dideoxy-1-thio-, 3-acetate 2-benzoate benzoic acid [6-(acetamidomethyl)-4-acetyloxy-2-(hexylthio)-3-oxanyl] ester [6-(acetamidomethyl)-4-acetyloxy-2-hexylsulfanyloxan-3-yl] benzoate [6-(acetamidomethyl)-4-acetoxy-2-hexylsulfanyl-tetrahydropyran-3-yl] benzoate [6-(acetamidomethyl)-4-acetyloxy-2-hexylsulfanyl-oxan-3-yl] benzoate
Wiley ID 1387957