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(3R,4R,5S,1'S)-ETHYL-5-[N-BENZYL-N-(1'-PHENYLETHYL)-AMINO]-3-HYDROXY-2-METHYL-2-PHENYLSULFANYL-HEXANE-4-CARBOXYLATE
SpectraBase Compound ID C7zBH2YAYs0
InChI InChI=1S/C31H39NO3S/c1-6-35-30(34)28(29(33)31(4,5)36-27-20-14-9-15-21-27)24(3)32(22-25-16-10-7-11-17-25)23(2)26-18-12-8-13-19-26/h7-21,23-24,28-29,33H,6,22H2,1-5H3/t23-,24-,28-,29+/m1/s1
InChIKey QVLBFTRVUHTWNT-CGWFDZAZSA-N
Mol Weight 505.7 g/mol
Molecular Formula C31H39NO3S
Exact Mass 505.265065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H2qI0d92Kcf
Name (3R,4R,5S,1'S)-ETHYL-5-[N-BENZYL-N-(1'-PHENYLETHYL)-AMINO]-3-HYDROXY-2-METHYL-2-PHENYLSULFANYL-HEXANE-4-CARBOXYLATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H39NO3S
InChI InChI=1S/C31H39NO3S/c1-6-35-30(34)28(29(33)31(4,5)36-27-20-14-9-15-21-27)24(3)32(22-25-16-10-7-11-17-25)23(2)26-18-12-8-13-19-26/h7-21,23-24,28-29,33H,6,22H2,1-5H3/t23-,24-,28-,29+/m1/s1
InChIKey QVLBFTRVUHTWNT-CGWFDZAZSA-N
Literature Reference Author I.C.BALDWIN,P.BRINER,M.D.EASTGATE,D.J.FOX,S.WARREN
Literature Reference Citation ORG.LETTERS,4,4381(2002)
Literature Reference DOI 10.1021/ol0268384
Molecular Weight 505.716 g/mol
Solvent CDCl3
Source File Reference UWLU35278