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IPVELUTINE;7-BETA-ACETOXY-2-ALPHA-(TIGLOYLOXY)-TROPANE;(1S,2S,5R,7R)-7-(ACETYLOXY)-8-METHYL-8-AZABICYCLO-[3.2.1]-OCT-2-YL-(2E)-2-METHYLBUT-2-ENOATE
SpectraBase Compound ID AW0her2AlZ7
InChI InChI=1S/C15H23NO4/c1-5-9(2)15(18)20-12-7-6-11-8-13(19-10(3)17)14(12)16(11)4/h5,11-14H,6-8H2,1-4H3/b9-5+/t11-,12-,13-,14+/m1/s1
InChIKey VVQCNHVSGXOLOP-GWCIMZLVSA-N
Mol Weight 281.35 g/mol
Molecular Formula C15H23NO4
Exact Mass 281.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKDc3JFWe6T
Name IPVELUTINE;7-BETA-ACETOXY-2-ALPHA-(TIGLOYLOXY)-TROPANE;(1S,2S,5R,7R)-7-(ACETYLOXY)-8-METHYL-8-AZABICYCLO-[3.2.1]-OCT-2-YL-(2E)-2-METHYLBUT-2-ENOATE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H23NO4
InChI InChI=1S/C15H23NO4/c1-5-9(2)15(18)20-12-7-6-11-8-13(19-10(3)17)14(12)16(11)4/h5,11-14H,6-8H2,1-4H3/b9-5+/t11-,12-,13-,14+/m1/s1
InChIKey VVQCNHVSGXOLOP-GWCIMZLVSA-N
Literature Reference Author S.C.OTT,K.JENETT-SIEMS,K.SIEMS,F.MUELLER,M.HILKER,E.EICH
Literature Reference Citation SCI.PHARM.,81,543(2013)
Molecular Weight 281.352 g/mol
Sample ID 73584
Solvent CD3OD