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LMCER-2-7;(2S,3S,4R,2'R)-2-(2-HYDROXYDOCOSANOYLAMINO)-14-METHYL-HEXADECANE-1,3,4-TRIOL
SpectraBase Compound ID 49ukTPX4nmC
InChI InChI=1S/C39H79NO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-37(43)39(45)40-35(33-41)38(44)36(42)31-28-25-23-20-21-24-27-30-34(3)5-2/h34-38,41-44H,4-33H2,1-3H3,(H,40,45)/t34?,35-,36-,37-,38+/m0/s1
InChIKey FMWWZJCZNAJTGR-GQXYRHGPSA-N
Mol Weight 642.1 g/mol
Molecular Formula C39H79NO5
Exact Mass 641.595825 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fq5gock6rPl
Name LMCER-2-7;(2S,3S,4R,2'R)-2-(2-HYDROXYDOCOSANOYLAMINO)-14-METHYL-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 C39H79NO5
InChI InChI=1S/C39H79NO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-26-29-32-37(43)39(45)40-35(33-41)38(44)36(42)31-28-25-23-20-21-24-27-30-34(3)5-2/h34-38,41-44H,4-33H2,1-3H3,(H,40,45)/t34?,35-,36-,37-,38+/m0/s1
InChIKey FMWWZJCZNAJTGR-GQXYRHGPSA-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 642.060 g/mol
Sample ID 55319
Solvent C5D5N