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2-[[(1R,4R)-3-keto-4-(4-ketopentyl)-4-methyl-cyclohexanecarbonyl]amino]-2-phenyl-acetic acid methyl ester

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2-[[(1R,4R)-3-keto-4-(4-ketopentyl)-4-methyl-cyclohexanecarbonyl]amino]-2-phenyl-acetic acid methyl ester
SpectraBase Compound ID LQhU8FOwue
InChI InChI=1S/C22H29NO5/c1-15(24)8-7-12-22(2)13-11-17(14-18(22)25)20(26)23-19(21(27)28-3)16-9-5-4-6-10-16/h4-6,9-10,17,19H,7-8,11-14H2,1-3H3,(H,23,26)/t17-,19?,22-/m1/s1
InChIKey JNPAORCYNCCYSN-MVPHGSNYSA-N
Mol Weight 387.48 g/mol
Molecular Formula C22H29NO5
Exact Mass 387.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DwFk7EXvd03
Name 2-[[(1R,4R)-3-keto-4-(4-ketopentyl)-4-methyl-cyclohexanecarbonyl]amino]-2-phenyl-acetic acid methyl ester
Compound Number 14-[(S)-PGME-AMIDE]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H29NO5
InChI InChI=1S/C22H29NO5/c1-15(24)8-7-12-22(2)13-11-17(14-18(22)25)20(26)23-19(21(27)28-3)16-9-5-4-6-10-16/h4-6,9-10,17,19H,7-8,11-14H2,1-3H3,(H,23,26)/t17-,19?,22-/m1/s1
InChIKey JNPAORCYNCCYSN-MVPHGSNYSA-N
Literature Reference Author B.N.SU,Y.TAKAISHI,T.YABUUCHI,T.KUSUMI,M.TORI,S.TAKAOKA,G.HON DA,M.ITO,Y.TAKEDA,O.
Literature Reference Citation J.NAT.PROD.,64,466(2001)
Literature Reference DOI 10.1021/np000211h
Molecular Weight 387.476 g/mol
Solvent CDCl3
Source File Reference UWRU9343