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(5-S)-5-HYDROXYMETHYL-2-METHOXY-1-(4,5-METHYLENEDIOXY-2-NITRO-BENZOYL)-PYRROLIDINE;MAJOR-DIASTEREOMER
SpectraBase Compound ID GiTYewcGayf
InChI InChI=1S/2C14H16N2O7/c2*1-21-13-3-2-8(6-17)15(13)14(18)9-4-11-12(23-7-22-11)5-10(9)16(19)20/h2*4-5,8,13,17H,2-3,6-7H2,1H3/t8-,13+;8-,13-/m11/s1
InChIKey SYEWJJLTYKSDQN-OMBYKRCXSA-N
Mol Weight 648.58 g/mol
Molecular Formula C28H32N4O14
Exact Mass 648.191502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6OZ9ihgrK4U
Name (5-S)-5-HYDROXYMETHYL-2-METHOXY-1-(4,5-METHYLENEDIOXY-2-NITRO-BENZOYL)-PYRROLIDINE;MAJOR-DIASTEREOMER
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H32N4O14
InChI InChI=1S/2C14H16N2O7/c2*1-21-13-3-2-8(6-17)15(13)14(18)9-4-11-12(23-7-22-11)5-10(9)16(19)20/h2*4-5,8,13,17H,2-3,6-7H2,1H3/t8-,13+;8-,13-/m11/s1
InChIKey SYEWJJLTYKSDQN-OMBYKRCXSA-N
Literature Reference Author N.LANGLOIS,A.ROJAS-ROUSSEAU,C.GASPARD,G.H.WERNER,F.DARRO,R.K ISS
Literature Reference Citation J.MED.CHEM.,44,3754(2001)
Literature Reference DOI 10.1021/jm010937q
Molecular Weight 648.580 g/mol
Sample ID 45135
Solvent CDCl3