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1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,9Z)-2-[(2R)-2-HYDROXYDOCOSANOYLAMINO]-9-OCTADECENE-1,3,4-TRIOL
SpectraBase Compound ID As9mYpazEs0
InChI InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h23,25,37-44,46,48-54H,3-22,24,26-36H2,1-2H3,(H,47,55)/b25-23-/t37-,38-,39+,40-,41+,42-,43+,44-,46-/m0/s1
InChIKey DHVCDRCUTFUDDR-YTUDTGSLSA-N
Mol Weight 816.2 g/mol
Molecular Formula C46H89NO10
Exact Mass 815.648648 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8a81g65JJT3
Name 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,9Z)-2-[(2R)-2-HYDROXYDOCOSANOYLAMINO]-9-OCTADECENE-1,3,4-TRIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H89NO10
InChI InChI=1S/C46H89NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-39(50)45(55)47-37(36-56-46-44(54)43(53)42(52)40(35-48)57-46)41(51)38(49)33-31-29-27-25-23-16-14-12-10-8-6-4-2/h23,25,37-44,46,48-54H,3-22,24,26-36H2,1-2H3,(H,47,55)/b25-23-/t37-,38-,39+,40-,41+,42-,43+,44-,46-/m0/s1
InChIKey DHVCDRCUTFUDDR-YTUDTGSLSA-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 816.213 g/mol
Sample ID 71847
Solvent C5D5N