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METHYL-(4R,5S)-2-BENZYL-5-[(TERT.-BUTOXYCARBONYL)-AMINO]-4-HYDROXY-6-PHENYL-(E)-2-HEXENOATE
SpectraBase Compound ID 3BRhB6hfsXa
InChI InChI=1S/C25H31NO5/c1-25(2,3)31-24(29)26-21(16-19-13-9-6-10-14-19)22(27)17-20(23(28)30-4)15-18-11-7-5-8-12-18/h5-14,17,21-22,27H,15-16H2,1-4H3,(H,26,29)/b20-17-/t21-,22-/m0/s1
InChIKey MDPGMTSWJLBGCZ-QWULRYHZSA-N
Mol Weight 425.53 g/mol
Molecular Formula C25H31NO5
Exact Mass 425.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dj03UuP4zjM
Name METHYL-(4R,5S)-2-BENZYL-5-[(TERT.-BUTOXYCARBONYL)-AMINO]-4-HYDROXY-6-PHENYL-(E)-2-HEXENOATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31NO5
InChI InChI=1S/C25H31NO5/c1-25(2,3)31-24(29)26-21(16-19-13-9-6-10-14-19)22(27)17-20(23(28)30-4)15-18-11-7-5-8-12-18/h5-14,17,21-22,27H,15-16H2,1-4H3,(H,26,29)/b20-17-/t21-,22-/m0/s1
InChIKey MDPGMTSWJLBGCZ-QWULRYHZSA-N
Literature Reference Author A.JENMALM,W.BERTS,Y.L.LI,K.LUTHMAN,I.CSOEREGH,U.HACKSELL
Literature Reference Citation J.ORG.CHEM.,59,1139(1994)
Literature Reference DOI 10.1021/jo00084a037
Molecular Weight 425.525 g/mol
Solvent CDCl3
Source File Reference UWCP1269