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#30;(R,R)-3-[6-[3-(N-TERT.-BUTOXYCARBONYL-2-METHOXYCARBONYLMETHYLAMINO)-5-IODO-6-METHOXYPHENYL]-INDOL-3-YL]-2-CARBOBENZYLOXY-AMINOPROPIONIC-ACID-TERT.-BUTYLEST
SpectraBase Compound ID 1z0yBlseKba
InChI InChI=1S/C38H44IN3O9/c1-37(2,3)50-33(43)30(41-35(45)49-21-22-12-10-9-11-13-22)19-25-20-40-29-18-23(14-15-26(25)29)27-16-24(17-28(39)32(27)47-7)31(34(44)48-8)42-36(46)51-38(4,5)6/h9-18,20,30-31,40H,19,21H2,1-8H3,(H,41,45)(H,42,46)/t30-,31-/m1/s1
InChIKey QMDBVXPVSFTEEO-FIRIVFDPSA-N
Mol Weight 813.7 g/mol
Molecular Formula C38H44IN3O9
Exact Mass 813.212225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cn728RwyhAj
Name #30;(R,R)-3-[6-[3-(N-TERT.-BUTOXYCARBONYL-2-METHOXYCARBONYLMETHYLAMINO)-5-IODO-6-METHOXYPHENYL]-INDOL-3-YL]-2-CARBOBENZYLOXY-AMINOPROPIONIC-ACID-TERT.-BUTYLEST
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H44IN3O9
InChI InChI=1S/C38H44IN3O9/c1-37(2,3)50-33(43)30(41-35(45)49-21-22-12-10-9-11-13-22)19-25-20-40-29-18-23(14-15-26(25)29)27-16-24(17-28(39)32(27)47-7)31(34(44)48-8)42-36(46)51-38(4,5)6/h9-18,20,30-31,40H,19,21H2,1-8H3,(H,41,45)(H,42,46)/t30-,31-/m1/s1
InChIKey QMDBVXPVSFTEEO-FIRIVFDPSA-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 813.687 g/mol
Sample ID 33338
Solvent CDCl3