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(1S,3R)-2-(benzyl)-1-(3-keto-3-methoxy-propyl)-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid ethyl ester
SpectraBase Compound ID IuIR9RsPMlr
InChI InChI=1S/C25H28N2O4/c1-3-31-25(29)22-15-19-18-11-7-8-12-20(18)26-24(19)21(13-14-23(28)30-2)27(22)16-17-9-5-4-6-10-17/h4-12,21-22,26H,3,13-16H2,1-2H3/t21-,22+/m0/s1
InChIKey PLJWMVJOMCFRAO-FCHUYYIVSA-N
Mol Weight 420.51 g/mol
Molecular Formula C25H28N2O4
Exact Mass 420.204907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Av2c4rvhobs
Name (1S,3R)-2-(benzyl)-1-(3-keto-3-methoxy-propyl)-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid ethyl ester
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H28N2O4
InChI InChI=1S/C25H28N2O4/c1-3-31-25(29)22-15-19-18-11-7-8-12-20(18)26-24(19)21(13-14-23(28)30-2)27(22)16-17-9-5-4-6-10-17/h4-12,21-22,26H,3,13-16H2,1-2H3/t21-,22+/m0/s1
InChIKey PLJWMVJOMCFRAO-FCHUYYIVSA-N
Literature Reference Author D.HAN,F.H.FOERSTERLING,J.R.DESCHAMPS,D.PARRISH,X.LIU,W.YIN,S .HUANG,J.M.COOK
Literature Reference Citation J.NAT.PROD.,70,75(2007)
Literature Reference DOI 10.1021/np060391g
Molecular Weight 420.508 g/mol
Sample ID 29511
Solvent Unknown