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7-BETA-ACETYLCATUABINE-E;7-BETA-ACETOXY-3-ALPHA,6-BETA-DI-(1-METHYL-1H-PYRROL-2-YLCARBONYLOXY)-TROPANE
SpectraBase Compound ID Gk5VhJ3Q3cv
InChI InChI=1S/C22H27N3O6/c1-13(26)29-19-17-11-14(30-21(27)15-7-5-9-23(15)2)12-18(25(17)4)20(19)31-22(28)16-8-6-10-24(16)3/h5-10,14,17-20H,11-12H2,1-4H3/t14-,17?,18?,19-,20+/m1/s1
InChIKey YSCZZGHQMKFFFY-NCCOWMPHSA-N
Mol Weight 429.47 g/mol
Molecular Formula C22H27N3O6
Exact Mass 429.189986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J12fnxyu3FA
Name 7-BETA-ACETYLCATUABINE-E;7-BETA-ACETOXY-3-ALPHA,6-BETA-DI-(1-METHYL-1H-PYRROL-2-YLCARBONYLOXY)-TROPANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H27N3O6
InChI InChI=1S/C22H27N3O6/c1-13(26)29-19-17-11-14(30-21(27)15-7-5-9-23(15)2)12-18(25(17)4)20(19)31-22(28)16-8-6-10-24(16)3/h5-10,14,17-20H,11-12H2,1-4H3/t14-,17?,18?,19-,20+/m1/s1
InChIKey YSCZZGHQMKFFFY-NCCOWMPHSA-N
Literature Reference Author B.ZANOLARI,D.GUILET,A.MARSTON,E.F.QUEIROZ,M.D.Q.PAULO,K.HOST ETTMANN
Literature Reference Citation J.NAT.PROD.,66,497(2003)
Literature Reference DOI 10.1021/np020512m
Molecular Weight 429.473 g/mol
Solvent CDCl3
Source File Reference UWSI7597