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ALPHA-(N-13-C-METHYL)-(+/-)-THALICITRIFOLIN-METHOCHLORIDE
SpectraBase Compound ID 9RKVhGHDwNF
InChI InChI=1S/C22H26NO4.ClH/c1-13-15-5-6-18-22(27-12-26-18)17(15)11-23(2)8-7-14-9-19(24-3)20(25-4)10-16(14)21(13)23;/h5-6,9-10,13,21H,7-8,11-12H2,1-4H3;1H/q+1;/p-1/t13-,21-,23-;/m0./s1
InChIKey PAOVFOADZFONNW-QGPBYMDOSA-M
Mol Weight 403.91 g/mol
Molecular Formula C22H26ClNO4
Exact Mass 403.155036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EoQThDeKUmo
Name ALPHA-(N-13-C-METHYL)-(+/-)-THALICITRIFOLIN-METHOCHLORIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H26ClNO4
InChI InChI=1S/C22H26NO4.ClH/c1-13-15-5-6-18-22(27-12-26-18)17(15)11-23(2)8-7-14-9-19(24-3)20(25-4)10-16(14)21(13)23;/h5-6,9-10,13,21H,7-8,11-12H2,1-4H3;1H/q+1;/p-1/t13-,21-,23-;/m0./s1
InChIKey PAOVFOADZFONNW-QGPBYMDOSA-M
Literature Reference Author K.IWASA,M.KAMIGAUCHI,N.TAKAO,M.CUSHMAN
Literature Reference Citation J.NAT.PROD.,56,2053(1993)
Literature Reference DOI 10.1021/np50102a005
Molecular Weight 403.906 g/mol
Solvent CD3OD
Source File Reference UWCS18085