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L-Threonine, N-[(phenylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl]-, methyl ester
SpectraBase Compound ID 39a33o5ZUZ2
InChI InChI=1S/C27H36N2O13/c1-14(21(25(34)36-6)29-27(35)38-12-19-10-8-7-9-11-19)39-26-22(28-15(2)30)24(41-18(5)33)23(40-17(4)32)20(42-26)13-37-16(3)31/h7-11,14,20-24,26H,12-13H2,1-6H3,(H,28,30)(H,29,35)
InChIKey BZJCFMGABBRXEP-UHFFFAOYSA-N
Mol Weight 596.6 g/mol
Molecular Formula C27H36N2O13
Exact Mass 596.221739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pZmg8i5oHX
Name L-Threonine, N-[(phenylmethoxy)carbonyl]-O-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl]-, methyl ester
CAS Registry Number 23141-51-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O13
InChI InChI=1S/C27H36N2O13/c1-14(21(25(34)36-6)29-27(35)38-12-19-10-8-7-9-11-19)39-26-22(28-15(2)30)24(41-18(5)33)23(40-17(4)32)20(42-26)13-37-16(3)31/h7-11,14,20-24,26H,12-13H2,1-6H3,(H,28,30)(H,29,35)
InChIKey BZJCFMGABBRXEP-UHFFFAOYSA-N
Molecular Weight 596.586 g/mol
SMILES N(C(C(OC1OC(C(C(C1NC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)C)C(=O)OC)C(=O)OCc1ccccc1
SPLASH splash10-0f6x-5931000000-cfda4f3fda806c326382
Source of Spectrum AU-20-280-4
Synonyms Methyl 2-([(benzyloxy)carbonyl]amino)-3-([3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranosyl]oxy)butanoate 3-[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(benzyloxycarbonylamino)butyric acid methyl ester 3-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester Butanoic acid, 2-[(phenylmethoxy)carbonyl]-3-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-.beta.-D-glucopyranosyl]oxy]-, methyl ester Butyric acid, 3-[(2-acetamido-2-deoxy-.beta.-D-glucopyranosyl)oxy]-2-(carboxyamino)-, N-benzyl methyl ester, 3',4',6'-triacetate Methyl 3-[3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-2-(benzyloxycarbonylamino)butanoate Methyl 3-[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-2-(phenylmethoxycarbonylamino)butanoate
Wiley ID 1409800