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(5S)-5-[[(1S,2Z)-1-ETHYL-3-IODO-2-PROPENYL]-OXY]-7-(4-METHOXYBENZYLOXY)-1-HEPTEN-4-ONE

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(5S)-5-[[(1S,2Z)-1-ETHYL-3-IODO-2-PROPENYL]-OXY]-7-(4-METHOXYBENZYLOXY)-1-HEPTEN-4-ONE
SpectraBase Compound ID Bqu7oPrEVf8
InChI InChI=1S/C20H27IO4/c1-4-6-19(22)20(25-17(5-2)11-13-21)12-14-24-15-16-7-9-18(23-3)10-8-16/h4,7-11,13,17,20H,1,5-6,12,14-15H2,2-3H3/b13-11-/t17-,20-/m0/s1
InChIKey AYJYJOYUGZFIMD-ONFOPSJQSA-N
Mol Weight 458.34 g/mol
Molecular Formula C20H27IO4
Exact Mass 458.095404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EAGXDo1ltSh
Name (5S)-5-[[(1S,2Z)-1-ETHYL-3-IODO-2-PROPENYL]-OXY]-7-(4-METHOXYBENZYLOXY)-1-HEPTEN-4-ONE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27IO4
InChI InChI=1S/C20H27IO4/c1-4-6-19(22)20(25-17(5-2)11-13-21)12-14-24-15-16-7-9-18(23-3)10-8-16/h4,7-11,13,17,20H,1,5-6,12,14-15H2,2-3H3/b13-11-/t17-,20-/m0/s1
InChIKey AYJYJOYUGZFIMD-ONFOPSJQSA-N
Literature Reference Author S.E.DENMARK,S.M.YANG
Literature Reference Citation J.AM.CHEM.SOC.,126,12432(2004)
Literature Reference DOI 10.1021/ja0466863
Molecular Weight 458.336 g/mol
Solvent CDCl3
Source File Reference UWVN31607