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LMC-2-5;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXY-DOCOSANOYLAMINO]-HEXADECANE-1,3,4-TRIOL
SpectraBase Compound ID BO7CBWEgoEX
InChI InChI=1S/C44H87NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(48)43(53)45-35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)39(49)36(47)31-29-27-25-23-14-12-10-8-6-4-2/h35-42,44,46-52H,3-34H2,1-2H3,(H,45,53)/t35-,36-,37-,38-,39+,40-,41+,42-,44-/m0/s1
InChIKey KQYMTELMIRHEAQ-JLKPLEOISA-N
Mol Weight 790.2 g/mol
Molecular Formula C44H87NO10
Exact Mass 789.632998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3tGrfv1HXk
Name LMC-2-5;1-O-(BETA-D-GLUCOPYRANOSYL)-(2S,3S,4R)-2-[(2R)-2-HYDROXY-DOCOSANOYLAMINO]-HEXADECANE-1,3,4-TRIOL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H87NO10
InChI InChI=1S/C44H87NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(48)43(53)45-35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)39(49)36(47)31-29-27-25-23-14-12-10-8-6-4-2/h35-42,44,46-52H,3-34H2,1-2H3,(H,45,53)/t35-,36-,37-,38-,39+,40-,41+,42-,44-/m0/s1
InChIKey KQYMTELMIRHEAQ-JLKPLEOISA-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 790.175 g/mol
Solvent C5D5N
Source File Reference UWMS6671