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Hexyl 2-O-acetyl-6-(acetylamino)-3-O-benzoyl-4,6-dideoxy-1-thiohexopyranoside
SpectraBase Compound ID 8bZWh1HH0ML
InChI InChI=1S/C23H33NO6S/c1-4-5-6-10-13-31-23-21(28-17(3)26)20(14-19(29-23)15-24-16(2)25)30-22(27)18-11-8-7-9-12-18/h7-9,11-12,19-21,23H,4-6,10,13-15H2,1-3H3,(H,24,25)
InChIKey PUXXUTCLEMYMDY-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 5gYTHZp1yXO
Name Hexyl 2-O-acetyl-6-(acetylamino)-3-O-benzoyl-4,6-dideoxy-1-thiohexopyranoside
Alternate Name(s) .alpha.-DL-Lyxo-hexopyranoside, hexyl 6-(acetylamino)-4,6-dideoxy-1-thio-, 2-acetate 3-benzoate benzoic acid [6-(acetamidomethyl)-3-acetyloxy-2-(hexylthio)-4-oxanyl] ester [6-(acetamidomethyl)-3-acetyloxy-2-hexylsulfanyloxan-4-yl] benzoate [6-(acetamidomethyl)-3-acetoxy-2-hexylsulfanyl-tetrahydropyran-4-yl] benzoate [6-(acetamidomethyl)-3-acetyloxy-2-hexylsulfanyl-oxan-4-yl] benzoate
CAS Registry Number 70835-92-6
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(28-17(3)26)20(14-19(29-23)15-24-16(2)25)30-22(27)18-11-8-7-9-12-18/h7-9,11-12,19-21,23H,4-6,10,13-15H2,1-3H3,(H,24,25)
InChIKey PUXXUTCLEMYMDY-UHFFFAOYSA-N
Molecular Weight 451.578 g/mol
SMILES N(CC1CC(C(C(O1)SCCCCCC)OC(C)=O)OC(c1ccccc1)=O)C(C)=O
SPLASH splash10-0a59-6923000000-a477d4c1abcf3619e8b7
Source of Spectrum W5-0-0-0
Wiley ID 1387956