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TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-MANNOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE
SpectraBase Compound ID EN597CmYlls
InChI InChI=1S/C51H59N3O10/c1-51(2,3)64-49(57)41(29-36-19-9-4-10-20-36)53-47(56)42(55)30-52-50(58)54-48-46(62-34-40-27-17-8-18-28-40)45(61-33-39-25-15-7-16-26-39)44(60-32-38-23-13-6-14-24-38)43(63-48)35-59-31-37-21-11-5-12-22-37/h4-28,41-46,48,55H,29-35H2,1-3H3,(H,53,56)(H2,52,54,58)/t41-,42-,43-,44-,45+,46+,48-/m1/s1
InChIKey VWKPXXKINKARBU-HBHAHZSESA-N
Mol Weight 874.0 g/mol
Molecular Formula C51H59N3O10
Exact Mass 873.420045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3FE4FXdcvPv
Name TERT.-BUTYL-N-[(2S)-2-HYDROXY-1-OXO-3-[3-(2,3,4,6-TETRA-O-BENZYL-BETA-D-MANNOPYRANOSYL)-UREIDO]-PROPYL]-PHENYLALANINATE
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H59N3O10
InChI InChI=1S/C51H59N3O10/c1-51(2,3)64-49(57)41(29-36-19-9-4-10-20-36)53-47(56)42(55)30-52-50(58)54-48-46(62-34-40-27-17-8-18-28-40)45(61-33-39-25-15-7-16-26-39)44(60-32-38-23-13-6-14-24-38)43(63-48)35-59-31-37-21-11-5-12-22-37/h4-28,41-46,48,55H,29-35H2,1-3H3,(H,53,56)(H2,52,54,58)/t41-,42-,43-,44-,45+,46+,48-/m1/s1
InChIKey VWKPXXKINKARBU-HBHAHZSESA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,L.HENNIG,F.ALBERICIO,K.BURGER
Literature Reference Citation MH.CHEM.,136,577(2005)
Literature Reference DOI 10.1007/s00706-004-0248-9
Molecular Weight 874.044 g/mol
Solvent CDCl3
Source File Reference UWSI23600