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TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE;MAJOR_ROTAMER
SpectraBase Compound ID 3Q35b2HrqqJ
InChI InChI=1S/C48H58N2O10/c1-47(2,3)60-45(52)38-26-17-27-50(38)46(53)48(4,54)28-40(51)49-44-43(58-32-37-24-15-8-16-25-37)42(57-31-36-22-13-7-14-23-36)41(56-30-35-20-11-6-12-21-35)39(59-44)33-55-29-34-18-9-5-10-19-34/h5-16,18-25,38-39,41-44,54H,17,26-33H2,1-4H3,(H,49,51)/t38?,39-,41-,42+,43-,44-,48+/m1/s1
InChIKey YLUYFACLLANFAX-RVARRQNBSA-N
Mol Weight 823.0 g/mol
Molecular Formula C48H58N2O10
Exact Mass 822.409146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZSXERcZN3K
Name TERT.-BUTYL_N-[(2-S)-1,4-DIOXO-2-HYDROXY-2-METHYL-4-[(2,3,4,6-TETRA-O-BENZYL-BETA-D-GLUCOPYRANOSYL)-AMINO]-BUTYL]-PROLINATE;MAJOR_ROTAMER
Compound Number 9D/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H58N2O10
InChI InChI=1S/C48H58N2O10/c1-47(2,3)60-45(52)38-26-17-27-50(38)46(53)48(4,54)28-40(51)49-44-43(58-32-37-24-15-8-16-25-37)42(57-31-36-22-13-7-14-23-36)41(56-30-35-20-11-6-12-21-35)39(59-44)33-55-29-34-18-9-5-10-19-34/h5-16,18-25,38-39,41-44,54H,17,26-33H2,1-4H3,(H,49,51)/t38?,39-,41-,42+,43-,44-,48+/m1/s1
InChIKey YLUYFACLLANFAX-RVARRQNBSA-N
Literature Reference Author C.BOETTCHER,J.SPENGLER,K.BURGER
Literature Reference Citation MH.CHEM.,135,1225(2004)
Literature Reference DOI 10.1007/s00706-004-0187-5
Molecular Weight 822.996 g/mol
Solvent CDCl3
Source File Reference UWMZ11938