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(4E,8E,2S,3R,2'R)-N-2'-DIHYDROXYPALMITIC-1-O-BETA-D-GLUCOPYRANOSYL-9-METHYL-4,8-SPHINGADIENINE;CEREBrOSIDE_FROM_FOMITOPSIS_PINICOLA

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(4E,8E,2S,3R,2'R)-N-2'-DIHYDROXYPALMITIC-1-O-BETA-D-GLUCOPYRANOSYL-9-METHYL-4,8-SPHINGADIENINE;CEREBrOSIDE_FROM_FOMITOPSIS_PINICOLA
SpectraBase Compound ID KZP7pSaqgsg
InChI InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36-,37-,38+,39-,41-/m0/s1
InChIKey YBSQGNFRWZKFMJ-JAOITHIWSA-N
Mol Weight 728.1 g/mol
Molecular Formula C41H77NO9
Exact Mass 727.559833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpKnbb4jtLk
Name [2S,3R,(4E),(8E)]-1-O-BETA-D-GLUCOPYRANOSYL-3-HYDROXY-2-[(R)-2'-HYDROXYOCTADECANOYL]-AMINO-9-METHYL-4,8-OCTADECADIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H77NO9
InChI InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36-,37-,38+,39-,41-/m0/s1
InChIKey YBSQGNFRWZKFMJ-JAOITHIWSA-N
Literature Reference Author L.FANG,L.KE,L.XIAOMING,W.BINGUI
Literature Reference Citation CHIN.J.OC.LIM.,29,63(2011)
Literature Reference DOI 10.1007/s00343-011-9949-1
Molecular Weight 728.064 g/mol
Solvent CD3OD
Source File Reference UWBT16641