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LMC-2-1;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-16-METHYL-OCTADECANE-1,3,4-TRIOL
SpectraBase Compound ID Ejy8N0AzPfq
InChI InChI=1S/C41H81NO10/c1-4-6-7-8-9-10-11-12-15-19-22-25-28-34(45)40(50)42-32(30-51-41-39(49)38(48)37(47)35(29-43)52-41)36(46)33(44)27-24-21-18-16-13-14-17-20-23-26-31(3)5-2/h31-39,41,43-49H,4-30H2,1-3H3,(H,42,50)/t31?,32-,33-,34-,35-,36+,37-,38+,39-,41-/m0/s1
InChIKey QZOPUFLZACORMH-GWFBXXIISA-N
Mol Weight 748.1 g/mol
Molecular Formula C41H81NO10
Exact Mass 747.586048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GkCOmJHz8N4
Name LMC-2-1;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXY-HEXADECANOYLAMINO]-16-METHYL-OCTADECANE-1,3,4-TRIOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H81NO10
InChI InChI=1S/C41H81NO10/c1-4-6-7-8-9-10-11-12-15-19-22-25-28-34(45)40(50)42-32(30-51-41-39(49)38(48)37(47)35(29-43)52-41)36(46)33(44)27-24-21-18-16-13-14-17-20-23-26-31(3)5-2/h31-39,41,43-49H,4-30H2,1-3H3,(H,42,50)/t31?,32-,33-,34-,35-,36+,37-,38+,39-,41-/m0/s1
InChIKey QZOPUFLZACORMH-GWFBXXIISA-N
Literature Reference Author S.KAWATAKE,K.NAKAMURA,M.INAGAKI,R.HIGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,50,1091(2002)
Literature Reference DOI 10.1248/cpb.50.1091
Molecular Weight 748.095 g/mol
Solvent C5D5N
Source File Reference UWMS6669