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REL-(2S,3S,4R,16E)-2-[(2'R)-2'-HYDROXYNONADECANOYLAMINO]-HENEICOSADEC-16-ENE-1,3,4-TRIOL
SpectraBase Compound ID BQUrBg1rBWo
InChI InChI=1S/C40H79NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(43)39(45)36(35-42)41-40(46)38(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,36-39,42-45H,3-8,10,12-35H2,1-2H3,(H,41,46)/b11-9+/t36-,37+,38+,39-/m0/s1
InChIKey VQIZWSRUDAHJGQ-NRHDGBMMSA-N
Mol Weight 654.1 g/mol
Molecular Formula C40H79NO5
Exact Mass 653.595825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vTrTGn8yXq
Name REL-(2S,3S,4R,16E)-2-[(2'R)-2'-HYDROXYNONADECANOYLAMINO]-HENEICOSADEC-16-ENE-1,3,4-TRIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H79NO5
InChI InChI=1S/C40H79NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(43)39(45)36(35-42)41-40(46)38(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,36-39,42-45H,3-8,10,12-35H2,1-2H3,(H,41,46)/b11-9+/t36-,37+,38+,39-/m0/s1
InChIKey VQIZWSRUDAHJGQ-NRHDGBMMSA-N
Literature Reference Author A.I.V.MAIA,M.L.VERAS,R.BRAZ-FILHO,N.P.LOPES,E.R.SILVEIRA,O.D .L.PESSOA
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,867(2010)
Literature Reference DOI 10.1590/s0103-50532010000500014
Molecular Weight 654.071 g/mol
Source File Reference UWBT5857