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(E)-2,4,5-TRIDEOXY-2-[(OCTADECANE-THIOYL)-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
SpectraBase Compound ID 15egWsExXT9
InChI InChI=1S/C35H69NO3S/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-29-35(40)36-33(32-37)34(38)28-27-31-39-30-26-24-22-20-12-10-8-6-4-2/h27-28,33-34,37-38H,3-26,29-32H2,1-2H3,(H,36,40)/b28-27+/t33-,34-/m0/s1
InChIKey STVRJVKNBPUQIO-HUASHNIISA-N
Mol Weight 584.0 g/mol
Molecular Formula C35H69NO3S
Exact Mass 583.499816 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EL57QQopt5x
Name (E)-2,4,5-TRIDEOXY-2-[(OCTADECANE-THIOYL)-AMINO]-6-O-UNDECYL-D-ERYTHRO-HEX-4-ENITOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H69NO3S
InChI InChI=1S/C35H69NO3S/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-29-35(40)36-33(32-37)34(38)28-27-31-39-30-26-24-22-20-12-10-8-6-4-2/h27-28,33-34,37-38H,3-26,29-32H2,1-2H3,(H,36,40)/b28-27+/t33-,34-/m0/s1
InChIKey STVRJVKNBPUQIO-HUASHNIISA-N
Literature Reference Author R.RAJAN,D.PACE,A.A.GENAZZANI,K.WALLIMANN,A.VASELLA,P.L.CANON ICO,F.CONDORELLI
Literature Reference Citation CHEM.BIODIV.,1,1785(2004)
Literature Reference DOI 10.1002/cbdv.200490134
Molecular Weight 583.998 g/mol
Solvent CDCl3
Source File Reference UWMS21790