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(2S,3S,4R,9Z)-2-[(2R)-2-HYDROXYTRICOSANOYLAMINO]-9-OCTADECENE-1,3,4-TRIOL

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(2S,3S,4R,9Z)-2-[(2R)-2-HYDROXYTRICOSANOYLAMINO]-9-OCTADECENE-1,3,4-TRIOL
SpectraBase Compound ID 8I5oDikmVnP
InChI InChI=1S/C41H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h24,26,37-40,43-46H,3-23,25,27-36H2,1-2H3,(H,42,47)/b26-24-/t37-,38-,39-,40+/m1/s1
InChIKey APLLKXASNFCVJZ-KRPXEPGCSA-N
Mol Weight 668.1 g/mol
Molecular Formula C41H81NO5
Exact Mass 667.611475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8E5l7s5HjAM
Name (2S,3S,4R,9Z)-2-[(2R)-2-HYDROXYTRICOSANOYLAMINO]-9-OCTADECENE-1,3,4-TRIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H81NO5
InChI InChI=1S/C41H81NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-39(45)41(47)42-37(36-43)40(46)38(44)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h24,26,37-40,43-46H,3-23,25,27-36H2,1-2H3,(H,42,47)/b26-24-/t37-,38-,39-,40+/m1/s1
InChIKey APLLKXASNFCVJZ-KRPXEPGCSA-N
Literature Reference Author X.ZENG,L.XIANG,C.Y.LI,Y.WANG,G.QIU,Z.X.ZHANG,X.HE
Literature Reference Citation FITOTERAPIA,83,609(2012)
Literature Reference DOI 10.1016/j.fitote.2012.01.008
Molecular Weight 668.098 g/mol
Sample ID 71846
Solvent C5D5N