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1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,10E)-2-[(2'R)-2-HYDROXY-TETRACOSANOYLAMINO]-1,3,4-OCTADECANE-TRIOL-10-ENE
SpectraBase Compound ID LYtJ1ZJRM2J
InChI InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h16,25,39-46,48,50-56H,3-15,17-24,26-38H2,1-2H3,(H,49,57)/b25-16+/t39-,40+,41+,42-,43-,44-,45+,46-,48-/m0/s1
InChIKey HUHVDCYMYIXOIN-XDDZRIEJSA-N
Mol Weight 844.3 g/mol
Molecular Formula C48H93NO10
Exact Mass 843.679948 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Inv9bWMjGo4
Name 1-O-BETA-D-GLUCOPYRANOSYL-(2S,3S,4R,10E)-2-[(2'R)-2-HYDROXY-TETRACOSANOYLAMINO]-1,3,4-OCTADECANE-TRIOL-10-ENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H93NO10
InChI InChI=1S/C48H93NO10/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(52)47(57)49-39(38-58-48-46(56)45(55)44(54)42(37-50)59-48)43(53)40(51)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h16,25,39-46,48,50-56H,3-15,17-24,26-38H2,1-2H3,(H,49,57)/b25-16+/t39-,40+,41+,42-,43-,44-,45+,46-,48-/m0/s1
InChIKey HUHVDCYMYIXOIN-XDDZRIEJSA-N
Literature Reference Author J.TANG,X.MEG,H.LIU,J.ZHAO,L.ZHOU,M.QIU,X.ZHANG,Z.YU,F.YANG
Literature Reference Citation MOLECULES,15,9288(2010)
Literature Reference DOI 10.3390/molecules15129288
Molecular Weight 844.267 g/mol
Sample ID 72774
Solvent C5D5N