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3.alpha.-(1-Methylcitraconyl)-6.beta.-angeloyloxytropane
SpectraBase Compound ID JfdkC69DtKf
InChI InChI=1S/C19H27NO6/c1-6-11(2)19(23)26-16-9-13-8-14(10-15(16)20(13)4)25-17(21)7-12(3)18(22)24-5/h6-7,13-16H,8-10H2,1-5H3/b11-6-,12-7-/t13-,14-,15+,16-/m1/s1
InChIKey HTJMXYOKUGEWDB-LINUXWBWSA-N
Mol Weight 365.43 g/mol
Molecular Formula C19H27NO6
Exact Mass 365.183838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGmMepNzsO
Name 3-ALPHA-(1-METHYLCITRACONYL)-6-BETA-ANGELOYLOXYTROPANE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27NO6
InChI InChI=1S/C19H27NO6/c1-6-11(2)19(23)26-16-9-13-8-14(10-15(16)20(13)4)25-17(21)7-12(3)18(22)24-5/h6-7,13-16H,8-10H2,1-5H3/b11-6-,12-7-/t13-,14-,15+,16-/m1/s1
InChIKey HTJMXYOKUGEWDB-LINUXWBWSA-N
Literature Reference Author S.CRETTON,G.GLAUSER,M.HUMAM,D.JEANNERAT,O.MUNOZ,L.MAES,P.CHR ISTEN,K.HOSTETTMANN
Literature Reference Citation J.NAT.PROD.,73,844(2010)
Literature Reference DOI 10.1021/np900780w
Molecular Weight 365.426 g/mol
Sample ID 35482
Solvent CD3OD