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GLUCOSYLCERAMIDE;(3'E,4E)-1-(BETA-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-2-[(2-HYDROXYOCTADECANOYLOXY)-AMINO]-10-METHYL-3',4,9-OCTADECATRIENE;REFERE

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GLUCOSYLCERAMIDE;(3'E,4E)-1-(BETA-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-2-[(2-HYDROXYOCTADECANOYLOXY)-AMINO]-10-METHYL-3',4,9-OCTADECATRIENE;REFERE
SpectraBase Compound ID BB4iPAvX2vW
InChI InChI=1S/C43H79NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-27-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-26-23-22-25-29-34(3)28-24-20-11-9-7-5-2/h26-27,29-31,35-41,43,45-50H,4-25,28,32-33H2,1-3H3,(H,44,51)/b30-26+,31-27+,34-29+/t35-,36+,37+,38-,39-,40+,41-,43-/m0/s1
InChIKey FKFCJQJJFFIMIW-LNXTUBGNSA-N
Mol Weight 754.1 g/mol
Molecular Formula C43H79NO9
Exact Mass 753.575483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KA5vLDgJmAj
Name GLUCOSYLCERAMIDE;(3'E,4E)-1-(BETA-D-GLUCOPYRANOSYLOXY)-3-HYDROXY-2-[(2-HYDROXYOCTADECANOYLOXY)-AMINO]-10-METHYL-3',4,9-OCTADECATRIENE;REFERE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H79NO9
InChI InChI=1S/C43H79NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-27-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-26-23-22-25-29-34(3)28-24-20-11-9-7-5-2/h26-27,29-31,35-41,43,45-50H,4-25,28,32-33H2,1-3H3,(H,44,51)/b30-26+,31-27+,34-29+/t35-,36+,37+,38-,39-,40+,41-,43-/m0/s1
InChIKey FKFCJQJJFFIMIW-LNXTUBGNSA-N
Literature Reference Author Y.TAO,X.ZENG,C.MOU,J.LI,X.CAI,Z.SHE,S.ZHOU,Y.LIN
Literature Reference Citation MAGN.RES.CHEM.,46,501(2008)
Literature Reference DOI 10.1002/mrc.2194
Molecular Weight 754.102 g/mol
Solvent DMSO-D6
Source File Reference UWLU82504