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METHYL-(2R,3S,1'R)-(2N-2'-HYDROXY-1'-PHENYLETHYLAMINO)-3-HYDROXYHEPTADECANOATE
SpectraBase Compound ID 296STLszs5A
InChI InChI=1S/C26H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(29)25(26(30)31-2)27-23(21-28)22-18-15-14-16-19-22/h14-16,18-19,23-25,27-29H,3-13,17,20-21H2,1-2H3/t23-,24-,25+/m1/s1
InChIKey HLJKJSMALGPXGS-SDHSZQHLSA-N
Mol Weight 435.6 g/mol
Molecular Formula C26H45NO4
Exact Mass 435.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsqTjzNacuQ
Name METHYL-(2R,3S,1'R)-(2N-2'-HYDROXY-1'-PHENYLETHYLAMINO)-3-HYDROXYHEPTADECANOATE
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H45NO4
InChI InChI=1S/C26H45NO4/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-24(29)25(26(30)31-2)27-23(21-28)22-18-15-14-16-19-22/h14-16,18-19,23-25,27-29H,3-13,17,20-21H2,1-2H3/t23-,24-,25+/m1/s1
InChIKey HLJKJSMALGPXGS-SDHSZQHLSA-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 435.648 g/mol
Sample ID 46654
Solvent CDCl3