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(2S,3S,4R,8E)-2-N-[(2'R)-2'-HYDROXYTETRACOSANOYLAMINO]-8-EICOSYLENE-1,3,4-TRIOL
SpectraBase Compound ID F73yh0zHA8u
InChI InChI=1S/C44H87NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h29,31,40-43,46-49H,3-28,30,32-39H2,1-2H3,(H,45,50)/b31-29+/t40-,41+,42+,43-/m0/s1
InChIKey UATBZUNZVILTAU-QZHBDNGUSA-N
Mol Weight 710.2 g/mol
Molecular Formula C44H87NO5
Exact Mass 709.658425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9hQKgnYDymi
Name (2S,3S,4R,8E)-2-N-[(2'R)-2'-HYDROXYTETRACOSANOYLAMINO]-8-EICOSYLENE-1,3,4-TRIOL
Compound Number 263
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H87NO5
InChI InChI=1S/C44H87NO5/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h29,31,40-43,46-49H,3-28,30,32-39H2,1-2H3,(H,45,50)/b31-29+/t40-,41+,42+,43-/m0/s1
InChIKey UATBZUNZVILTAU-QZHBDNGUSA-N
Literature Reference Author J.C.D.NASCIMENTO,V.F.D.PAULA,J.M.DAVID,J.P.DAVID
Literature Reference Citation QUIM.NOVA,35,2288(2012)
Literature Reference DOI 10.1590/s0100-40422012001100037
Molecular Weight 710.178 g/mol
Solvent C5D5N
Source File Reference UWIR12369