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(+/-)-(4-R/S,5-S/R,6-E,8-S/R)-8-[(2,4-DINITROPHENYL)-SULFONYL]-5-HYDROXY-4,6-DIMETHYLNON-6-EN-3-ONE
SpectraBase Compound ID KzuLQnvpWtB
InChI InChI=1S/C17H22N2O8S/c1-5-15(20)12(4)17(21)10(2)8-11(3)28(26,27)16-7-6-13(18(22)23)9-14(16)19(24)25/h6-9,11-12,17,21H,5H2,1-4H3/b10-8+/t11-,12-,17+/m1/s1
InChIKey YTFVBUNOSKZSEK-TZFMNRGJSA-N
Mol Weight 414.43 g/mol
Molecular Formula C17H22N2O8S
Exact Mass 414.109687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CCDrKfYplQx
Name (+/-)-(4-R/S,5-S/R,6-E,8-S/R)-8-[(2,4-DINITROPHENYL)-SULFONYL]-5-HYDROXY-4,6-DIMETHYLNON-6-EN-3-ONE
Compound Number 18-ANTI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N2O8S
InChI InChI=1S/C17H22N2O8S/c1-5-15(20)12(4)17(21)10(2)8-11(3)28(26,27)16-7-6-13(18(22)23)9-14(16)19(24)25/h6-9,11-12,17,21H,5H2,1-4H3/b10-8+/t11-,12-,17+/m1/s1
InChIKey YTFVBUNOSKZSEK-TZFMNRGJSA-N
Literature Reference Author L.C.BOUCHEZ,C.CRAITA,P.VOGEL
Literature Reference Citation ORG.LETTERS,7,897(2005)
Literature Reference DOI 10.1021/ol050006z
Molecular Weight 414.430 g/mol
Sample ID 42466
Solvent CDCl3