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(S,E)-ETHYL-4-((S/R)-2-(TERT.-BUTOXYCARBONYLAMINO)-2-PHENYLACETAMIDO)-7-OXO-7-(TRITYLAMINO)-HEPT-2-ENOATE;MAJOR_ISOMER
SpectraBase Compound ID 54OBs4ISlNv
InChI InChI=1S/C41H45N3O6/c1-5-49-36(46)29-27-34(42-38(47)37(30-18-10-6-11-19-30)43-39(48)50-40(2,3)4)26-28-35(45)44-41(31-20-12-7-13-21-31,32-22-14-8-15-23-32)33-24-16-9-17-25-33/h6-25,27,29,34,37H,5,26,28H2,1-4H3,(H,42,47)(H,43,48)(H,44,45)/b29-27+/t34?,37-/m0/s1
InChIKey RBIOEWRVNCMSBI-NOLVIXFMSA-N
Mol Weight 675.8 g/mol
Molecular Formula C41H45N3O6
Exact Mass 675.330836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C7dJV9Enfie
Name (S,E)-ETHYL-4-((S/R)-2-(TERT.-BUTOXYCARBONYLAMINO)-2-PHENYLACETAMIDO)-7-OXO-7-(TRITYLAMINO)-HEPT-2-ENOATE;MINOR_ISOMER
Compound Number 16B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H45N3O6
InChI InChI=1S/C41H45N3O6/c1-5-49-36(46)29-27-34(42-38(47)37(30-18-10-6-11-19-30)43-39(48)50-40(2,3)4)26-28-35(45)44-41(31-20-12-7-13-21-31,32-22-14-8-15-23-32)33-24-16-9-17-25-33/h6-25,27,29,34,37H,5,26,28H2,1-4H3,(H,42,47)(H,43,48)(H,44,45)/b29-27+/t34?,37-/m0/s1
InChIKey RBIOEWRVNCMSBI-NOLVIXFMSA-N
Literature Reference Author A.BREUNING,B.DEGEL,F.SCHULZ,C.BUECHOLD,M.STEMPKA,U.MACHON,S. HEPPNER,C.GELHAUS,M.
Literature Reference Citation J.MED.CHEM.,53,1951(2010)
Literature Reference DOI 10.1021/jm900946n
Molecular Weight 675.825 g/mol
Solvent CDCl3
Source File Reference UWMZ46527