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LEPADIN-E;(2R*,2''''(E),3S*,4AR*,5R*,8AS*)-DECAHYDRO-3-HYDROXY-5-(5'-HYDROXYOCTYL)-2-METHYL-3-QUINOLINYLESTER-2''-OCTENOIC-ACID

View entire compound with spectra: 1 NMR

LEPADIN-E;(2R*,2''''(E),3S*,4AR*,5R*,8AS*)-DECAHYDRO-3-HYDROXY-5-(5'-HYDROXYOCTYL)-2-METHYL-3-QUINOLINYLESTER-2''-OCTENOIC-ACID
SpectraBase Compound ID AK3eepYdAGc
InChI InChI=1S/C26H47NO3/c1-4-6-7-8-9-18-26(29)30-25-19-23-21(14-10-11-16-22(28)13-5-2)15-12-17-24(23)27-20(25)3/h9,18,20-25,27-28H,4-8,10-17,19H2,1-3H3/b18-9+/t20-,21-,22?,23-,24+,25+/m1/s1
InChIKey QNAATLGQMSSVEO-CJHSMMPESA-N
Mol Weight 421.7 g/mol
Molecular Formula C26H47NO3
Exact Mass 421.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KI1YvUqi52x
Name LEPADIN-E;(2R*,2''''(E),3S*,4AR*,5R*,8AS*)-DECAHYDRO-3-HYDROXY-5-(5'-HYDROXYOCTYL)-2-METHYL-3-QUINOLINYLESTER-2''-OCTENOIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H47NO3
InChI InChI=1S/C26H47NO3/c1-4-6-7-8-9-18-26(29)30-25-19-23-21(14-10-11-16-22(28)13-5-2)15-12-17-24(23)27-20(25)3/h9,18,20-25,27-28H,4-8,10-17,19H2,1-3H3/b18-9+/t20-,21-,22?,23-,24+,25+/m1/s1
InChIKey QNAATLGQMSSVEO-CJHSMMPESA-N
Literature Reference Author A.D.WRIGHT,E.GOCLIK,G.M.KOENIG,R.KAMINSKY
Literature Reference Citation J.MED.CHEM.,45,3067(2002)
Literature Reference DOI 10.1021/jm0110892
Molecular Weight 421.664 g/mol
Sample ID 64461
Solvent CDCl3