John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2JOvoppP1yt SpectraBase Spectrum ID=2vaRRBikexH

(accessed ).
METHYL-(2R,3S,1'R)-(2N-2'-HYDROXY-1'-PHENYLETHYLAMINO)-3-HYDROXYICOSANOATE
SpectraBase Compound ID 2JOvoppP1yt
InChI InChI=1S/C29H51NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(32)28(29(33)34-2)30-26(24-31)25-21-18-17-19-22-25/h17-19,21-22,26-28,30-32H,3-16,20,23-24H2,1-2H3/t26-,27-,28+/m1/s1
InChIKey GNYPYPPRICJIAF-FCEKVYKBSA-N
Mol Weight 477.7 g/mol
Molecular Formula C29H51NO4
Exact Mass 477.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vaRRBikexH
Name METHYL-(2R,3S,1'R)-(2N-2'-HYDROXY-1'-PHENYLETHYLAMINO)-3-HYDROXYICOSANOATE
Compound Number 5E
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H51NO4
InChI InChI=1S/C29H51NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27(32)28(29(33)34-2)30-26(24-31)25-21-18-17-19-22-25/h17-19,21-22,26-28,30-32H,3-16,20,23-24H2,1-2H3/t26-,27-,28+/m1/s1
InChIKey GNYPYPPRICJIAF-FCEKVYKBSA-N
Literature Reference Author V.A.BROME,L.M.HARWOOD,H.M.I.OSBORN
Literature Reference Citation CAN.J.CHEM.,84,1448(2006)
Literature Reference DOI 10.1139/v06-121
Molecular Weight 477.728 g/mol
Sample ID 46656
Solvent CD3OD
SpectraBase Batch ID 2u5mIn80NDe