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LMCER-2-6;(2S,3S,4R,2'R)-2-(2-HYDROXYDOCOSANOYLAMINO)-HEXADECANE-1,3,4-TRIOL
SpectraBase Compound ID 885RTzk0bZ3
InChI InChI=1S/C38H77NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-36(42)38(44)39-34(33-40)37(43)35(41)31-29-27-25-23-14-12-10-8-6-4-2/h34-37,40-43H,3-33H2,1-2H3,(H,39,44)/t34-,35-,36-,37+/m0/s1
InChIKey XKODYPGTCDYHFD-MYOMABOUSA-N
Mol Weight 628.0 g/mol
Molecular Formula C38H77NO5
Exact Mass 627.580175 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A727c325v7V
Name LMCER-2-6;(2S,3S,4R,2'R)-2-(2-HYDROXYDOCOSANOYLAMINO)-HEXADECANE-1,3,4-TRIOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H77NO5
InChI InChI=1S/C38H77NO5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-36(42)38(44)39-34(33-40)37(43)35(41)31-29-27-25-23-14-12-10-8-6-4-2/h34-37,40-43H,3-33H2,1-2H3,(H,39,44)/t34-,35-,36-,37+/m0/s1
InChIKey XKODYPGTCDYHFD-MYOMABOUSA-N
Literature Reference Author M.INAGAKI,Y.IKEDA,S.KAWATAKE,K.NAKAMURA,M.TANAKA,E.MISAWA,M. YAMADA,R.HIGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,54,1647(2006)
Literature Reference DOI 10.1248/cpb.54.1647
Molecular Weight 628.033 g/mol
Sample ID 55318
Solvent C5D5N