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#6A;(R,R,R)-6-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)-N-CARBOBENZYLOXY-TRYPTOPHYL-3',5'-DICHLORO-4'-METHOXYPHENYLGLYCYL-3',5'-DIIODO-4'-METHOXYPHENYLGL
SpectraBase Compound ID Jd8TQn1WFzV
InChI InChI=1S/C44H45BCl2I2N4O10/c1-43(2)44(3,4)63-45(62-43)27-13-14-28-26(21-50-33(28)20-27)19-34(51-42(57)61-22-23-11-9-8-10-12-23)39(54)52-35(24-15-29(46)37(58-5)30(47)16-24)40(55)53-36(41(56)60-7)25-17-31(48)38(59-6)32(49)18-25/h8-18,20-21,34-36,50H,19,22H2,1-7H3,(H,51,57)(H,52,54)(H,53,55)/t34-,35-,36-/m1/s1
InChIKey ITWXOWVATKABJV-KUFDTJSHSA-N
Mol Weight 1125.4 g/mol
Molecular Formula C44H45BCl2I2N4O10
Exact Mass 1124.069519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FSzdBU8mDbh
Name #6A;(R,R,R)-6-(4,4,5,5-TETRAMETHYL-[1,3,2]-DIOXABOROLAN-2-YL)-N-CARBOBENZYLOXY-TRYPTOPHYL-3',5'-DICHLORO-4'-METHOXYPHENYLGLYCYL-3',5'-DIIODO-4'-METHOXYPHENYLGL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H45BCl2I2N4O10
InChI InChI=1S/C44H45BCl2I2N4O10/c1-43(2)44(3,4)63-45(62-43)27-13-14-28-26(21-50-33(28)20-27)19-34(51-42(57)61-22-23-11-9-8-10-12-23)39(54)52-35(24-15-29(46)37(58-5)30(47)16-24)40(55)53-36(41(56)60-7)25-17-31(48)38(59-6)32(49)18-25/h8-18,20-21,34-36,50H,19,22H2,1-7H3,(H,51,57)(H,52,54)(H,53,55)/t34-,35-,36-/m1/s1
InChIKey ITWXOWVATKABJV-KUFDTJSHSA-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 1125.387 g/mol
Sample ID 33344
Solvent CDCl3