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N-2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-N'-OCTYLTHIOUREA
SpectraBase Compound ID EhHI7AwGBJP
InChI InChI=1S/C23H38N2O9S/c1-6-7-8-9-10-11-12-24-23(35)25-22-21(33-17(5)29)20(32-16(4)28)19(31-15(3)27)18(34-22)13-30-14(2)26/h18-22H,6-13H2,1-5H3,(H2,24,25,35)/t18-,19+,20+,21-,22-/m1/s1
InChIKey DBJQCNVCHUWHEM-CDJZJNNCSA-N
Mol Weight 518.6 g/mol
Molecular Formula C23H38N2O9S
Exact Mass 518.229802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LIzTavJgTxR
Name N-2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-N'-OCTYLTHIOUREA
Compound Number 11A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H38N2O9S
InChI InChI=1S/C23H38N2O9S/c1-6-7-8-9-10-11-12-24-23(35)25-22-21(33-17(5)29)20(32-16(4)28)19(31-15(3)27)18(34-22)13-30-14(2)26/h18-22H,6-13H2,1-5H3,(H2,24,25,35)/t18-,19+,20+,21-,22-/m1/s1
InChIKey DBJQCNVCHUWHEM-CDJZJNNCSA-N
Literature Reference Author C.PRATA,N.MORA,J.M.LACOMBE,J.C.MAURIZIS,B.PUCCI
Literature Reference Citation CARBOHYDR.RES.,321,4(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00161-5
Molecular Weight 518.623 g/mol
Solvent CDCl3
Source File Reference UWGE3131