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(E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-5-oxido-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-5-ium-2-yl]-3-methoxy-acrylic acid methyl ester
SpectraBase Compound ID 9Sz5DpGauMe
InChI InChI=1S/C23H30N2O5/c1-5-14-12-25(27)10-9-15-21-18(7-6-8-20(21)29-3)24-22(15)19(25)11-16(14)17(13-28-2)23(26)30-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+,25?/m1/s1
InChIKey KXNRITUKNSFMGJ-CUKABGIGSA-N
Mol Weight 414.5 g/mol
Molecular Formula C23H30N2O5
Exact Mass 414.215472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXDpL7PD0We
Name (E)-2-[(2S,3S,12bS)-3-ethyl-8-methoxy-5-oxido-1,2,3,4,6,7,12,12b-octahydropyrido[2,1-a]$b-carbolin-5-ium-2-yl]-3-methoxy-acrylic acid methyl ester
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H30N2O5
InChI InChI=1S/C23H30N2O5/c1-5-14-12-25(27)10-9-15-21-18(7-6-8-20(21)29-3)24-22(15)19(25)11-16(14)17(13-28-2)23(26)30-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+,25?/m1/s1
InChIKey KXNRITUKNSFMGJ-CUKABGIGSA-N
Literature Reference Author H.TAKAYAMA,H.ISHIKAWA,M.KURIHARA,M.KITAJIMA,N.AIMI,D.PONGLUX ,F.KOYAMA,K.MATSUMOT
Literature Reference Citation J.MED.CHEM.,45,1949(2002)
Literature Reference DOI 10.1021/jm010576e
Molecular Weight 414.502 g/mol
Sample ID 64358
Solvent CDCl3