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METHYL-(2R,3S,1'R)-(2N-2'-HYDROXY-1'-PHENYLETHYLAMINO)-3-HYDROXYOCTADECANOATE

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METHYL-(2R,3S,1'R)-(2N-2'-HYDROXY-1'-PHENYLETHYLAMINO)-3-HYDROXYOCTADECANOATE
SpectraBase Compound ID 62iPQrehGV7
InChI InChI=1S/C27H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(30)26(27(31)32-2)28-24(22-29)23-19-16-15-17-20-23/h15-17,19-20,24-26,28-30H,3-14,18,21-22H2,1-2H3/t24-,25-,26+/m1/s1
InChIKey UCCWKSJKHHJSSV-CYXNTTPDSA-N
Mol Weight 449.7 g/mol
Molecular Formula C27H47NO4
Exact Mass 449.350509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1oPPa8X8c92
Name METHYL-(2R,3S,1'R)-(2N-2'-HYDROXY-1'-PHENYLETHYLAMINO)-3-HYDROXYOCTADECANOATE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H47NO4
InChI InChI=1S/C27H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-25(30)26(27(31)32-2)28-24(22-29)23-19-16-15-17-20-23/h15-17,19-20,24-26,28-30H,3-14,18,21-22H2,1-2H3/t24-,25-,26+/m1/s1
InChIKey UCCWKSJKHHJSSV-CYXNTTPDSA-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 449.674 g/mol
Sample ID 46652
Solvent CDCl3