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(CIS)-(2R,3R,4AS,5S,10AS,10BS)-5-ETHYL-2,3-DIMETHOXY-2,3,7-TRIMETHYLDECAHYDRO-[1,4]-DIOXINO-[2,3-G]-INDOLIZIN-7-IUM-IODIDE

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(CIS)-(2R,3R,4AS,5S,10AS,10BS)-5-ETHYL-2,3-DIMETHOXY-2,3,7-TRIMETHYLDECAHYDRO-[1,4]-DIOXINO-[2,3-G]-INDOLIZIN-7-IUM-IODIDE
SpectraBase Compound ID InaPl3w5hx
InChI InChI=1S/C17H32NO4.HI/c1-7-12-11-18(4)10-8-9-13(18)15-14(12)21-16(2,19-5)17(3,20-6)22-15;/h12-15H,7-11H2,1-6H3;1H/q+1;/p-1/t12-,13-,14-,15-,16+,17+,18?;/m0./s1
InChIKey GRXXWKXOECIEPS-SCPIZTHWSA-M
Mol Weight 441.4 g/mol
Molecular Formula C17H32INO4
Exact Mass 441.137604 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B4FzaPDKZ0F
Name (CIS)-(2R,3R,4AS,5S,10AS,10BS)-5-ETHYL-2,3-DIMETHOXY-2,3,7-TRIMETHYLDECAHYDRO-[1,4]-DIOXINO-[2,3-G]-INDOLIZIN-7-IUM-IODIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H32INO4
InChI InChI=1S/C17H32NO4.HI/c1-7-12-11-18(4)10-8-9-13(18)15-14(12)21-16(2,19-5)17(3,20-6)22-15;/h12-15H,7-11H2,1-6H3;1H/q+1;/p-1/t12-,13-,14-,15-,16+,17+,18?;/m0./s1
InChIKey GRXXWKXOECIEPS-SCPIZTHWSA-M
Literature Reference Author P.SAFAR,J.ZUZIOVA,S.MARCHLIN,N.PRONAYOVA,L.SVORC,V.VRABEL,S. SESTAK,D.RENDIC,V.TO
Literature Reference Citation EUR.J.ORG.CHEM.,2012,5498(2012)
Literature Reference DOI 10.1002/ejoc.201200431
Molecular Weight 441.350 g/mol
Solvent CD3OD
Source File Reference UWLU83589