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1-O-Acetyl-2-(acetylamino)-3,4,6-tri-O-benzyl-2-deoxyhexopyranose
SpectraBase Compound ID Ejh0BYa5DCT
InChI InChI=1S/C31H35NO7/c1-22(33)32-28-30(37-20-26-16-10-5-11-17-26)29(36-19-25-14-8-4-9-15-25)27(39-31(28)38-23(2)34)21-35-18-24-12-6-3-7-13-24/h3-17,27-31H,18-21H2,1-2H3,(H,32,33)/t27-,28-,29-,30-,31-/m1/s1
InChIKey HXHSPLCAVIZJMH-JQWMYKLHSA-N
Mol Weight 533.6 g/mol
Molecular Formula C31H35NO7
Exact Mass 533.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD1x45hQMQ1
Name 1-O-Acetyl-2-(acetylamino)-3,4,6-tri-O-benzyl-2-deoxyhexopyranose
Alternate Name(s) 1,N-Diacetyl-3,4,6-O-tribenzyl-.alpha.-d-glucosamine Acetic acid [3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-oxanyl] ester [3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] acetate [3-acetamido-4,5-dibenzyloxy-6-(benzyloxymethyl)tetrahydropyran-2-yl] acetate [3-acetamido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl] ethanoate
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Formula C31H35NO7
InChI InChI=1S/C31H35NO7/c1-22(33)32-28-30(37-20-26-16-10-5-11-17-26)29(36-19-25-14-8-4-9-15-25)27(39-31(28)38-23(2)34)21-35-18-24-12-6-3-7-13-24/h3-17,27-31H,18-21H2,1-2H3,(H,32,33)/t27-,28-,29-,30-,31-/m1/s1
InChIKey HXHSPLCAVIZJMH-JQWMYKLHSA-N
Molecular Weight 533.621 g/mol
SMILES N([C@@]1([C@]([C@@]([C@](O[C@]1(OC(C)=O)[H])(COCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])[H])C(C)=O
SPLASH splash10-0006-9310000000-4c18bd5b930d0eb10595
Source of Spectrum NP-15-8877-0
Wiley ID 1112961