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LMCER-2-1;(2S,3S,4R,2'R)-2-(2-HYDROXYHEXADECANOYLAMINO)-16-METHYL-4-OCTADECANE-1,3,4-TRIOL
SpectraBase Compound ID ASyeGbGm6S7
InChI InChI=1S/C35H71NO5/c1-4-6-7-8-9-10-11-12-15-19-22-25-28-33(39)35(41)36-31(29-37)34(40)32(38)27-24-21-18-16-13-14-17-20-23-26-30(3)5-2/h30-34,37-40H,4-29H2,1-3H3,(H,36,41)/t30?,31-,32-,33-,34+/m0/s1
InChIKey LVLKWCGCBIJSIF-PHVVVJSJSA-N
Mol Weight 586.0 g/mol
Molecular Formula C35H71NO5
Exact Mass 585.533224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IwqC0yLS1Sh
Name LMCER-2-1;(2S,3S,4R,2'R)-2-(2-HYDROXYHEXADECANOYLAMINO)-16-METHYL-4-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 C35H71NO5
InChI InChI=1S/C35H71NO5/c1-4-6-7-8-9-10-11-12-15-19-22-25-28-33(39)35(41)36-31(29-37)34(40)32(38)27-24-21-18-16-13-14-17-20-23-26-30(3)5-2/h30-34,37-40H,4-29H2,1-3H3,(H,36,41)/t30?,31-,32-,33-,34+/m0/s1
InChIKey LVLKWCGCBIJSIF-PHVVVJSJSA-N
Literature Reference Author M.INAGAKI,Y.KEDA,S.KAWATAKE,K.NAKAMURA,M.TANAKA,E.MISAWA,M.Y AMADA,R.HIGUCHI
Literature Reference Citation CHEM.PHARM.BULL.,54,1647(2006)
Literature Reference DOI 10.1248/cpb.54.1647
Molecular Weight 585.952 g/mol
Sample ID 55317
Solvent C5D5N