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(R,S)-6-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)-N-CARBOBENZYLOXY-TRYPTOPHYL-3',5'-DICHLORO-4'-METHOXYPHENYLGLYCINE-TERT.-BUTYLESTER

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(R,S)-6-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)-N-CARBOBENZYLOXY-TRYPTOPHYL-3',5'-DICHLORO-4'-METHOXYPHENYLGLYCINE-TERT.-BUTYLESTER
SpectraBase Compound ID JpunWsl30Cs
InChI InChI=1S/C38H44BCl2N3O8/c1-36(2,3)50-34(46)31(23-16-27(40)32(48-8)28(41)17-23)44-33(45)30(43-35(47)49-21-22-12-10-9-11-13-22)18-24-20-42-29-19-25(14-15-26(24)29)39-51-37(4,5)38(6,7)52-39/h9-17,19-20,30-31,42H,18,21H2,1-8H3,(H,43,47)(H,44,45)/t30-,31+/m1/s1
InChIKey RDRAANATGQGUSH-JSOSNVBQSA-N
Mol Weight 752.5 g/mol
Molecular Formula C38H44BCl2N3O8
Exact Mass 751.259851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FlygPBXfVTr
Name (R,S)-6-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)-N-CARBOBENZYLOXY-TRYPTOPHYL-3',5'-DICHLORO-4'-METHOXYPHENYLGLYCINE-TERT.-BUTYLESTER
Compound Number 33B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44BCl2N3O8
InChI InChI=1S/C38H44BCl2N3O8/c1-36(2,3)50-34(46)31(23-16-27(40)32(48-8)28(41)17-23)44-33(45)30(43-35(47)49-21-22-12-10-9-11-13-22)18-24-20-42-29-19-25(14-15-26(24)29)39-51-37(4,5)38(6,7)52-39/h9-17,19-20,30-31,42H,18,21H2,1-8H3,(H,43,47)(H,44,45)/t30-,31+/m1/s1
InChIKey RDRAANATGQGUSH-JSOSNVBQSA-N
Literature Reference Author Y.YAMADA,A.AKIBA,S.ARIMA,C.OKADA,K.YOSHIDA,F.ITOU,T.KAI,T.SA TOU,K.TAKEDA,Y.HARIG
Literature Reference Citation CHEM.PHARM.BULL.,53,1277(2005)
Literature Reference DOI 10.1248/cpb.53.1277
Molecular Weight 752.499 g/mol
Sample ID 33343
Solvent DMSO-D6