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LMC-2-12;LUIDIACEREBROSIDE-B;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXYTETRACOSANOYLAMINO]-16-METHYL-OCTADECANE-1,3,4-TRIOL

View entire compound with spectra: 1 NMR

LMC-2-12;LUIDIACEREBROSIDE-B;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXYTETRACOSANOYLAMINO]-16-METHYL-OCTADECANE-1,3,4-TRIOL
SpectraBase Compound ID 9ADLbqlN0SV
InChI InChI=1S/C49H97NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(53)48(58)50-40(38-59-49-47(57)46(56)45(55)43(37-51)60-49)44(54)41(52)35-32-29-26-24-21-22-25-28-31-34-39(3)5-2/h39-47,49,51-57H,4-38H2,1-3H3,(H,50,58)/t39?,40-,41-,42-,43-,44+,45-,46+,47-,49-/m0/s1
InChIKey CWDKQZNZOJUUBP-RJCMSPFDSA-N
Mol Weight 860.3 g/mol
Molecular Formula C49H97NO10
Exact Mass 859.711248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8oGMBzXoic
Name LMC-2-12;LUIDIACEREBROSIDE-B;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXYTETRACOSANOYLAMINO]-16-METHYL-OCTADECANE-1,3,4-TRIOL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H97NO10
InChI InChI=1S/C49H97NO10/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-30-33-36-42(53)48(58)50-40(38-59-49-47(57)46(56)45(55)43(37-51)60-49)44(54)41(52)35-32-29-26-24-21-22-25-28-31-34-39(3)5-2/h39-47,49,51-57H,4-38H2,1-3H3,(H,50,58)/t39?,40-,41-,42-,43-,44+,45-,46+,47-,49-/m0/s1
InChIKey CWDKQZNZOJUUBP-RJCMSPFDSA-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 860.310 g/mol
Solvent C5D5N
Source File Reference UWMS6673