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(+/-)-(3-R/S,4-R/S,5-Z,7-S/R)-4-HYDROXY-3,5-DIMETHYL-7-[(METHYL)-SULFONYL]-OCT-5-EN-2-ONE
SpectraBase Compound ID EHpaB0HeliC
InChI InChI=1S/C11H20O4S/c1-7(6-8(2)16(5,14)15)11(13)9(3)10(4)12/h6,8-9,11,13H,1-5H3/b7-6-/t8-,9-,11-/m1/s1
InChIKey GXCJHMYCICSVMI-HGNNEEQMSA-N
Mol Weight 248.34 g/mol
Molecular Formula C11H20O4S
Exact Mass 248.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LDrbiWOxDwM
Name (+/-)-(3-R/S,4-R/S,5-Z,7-S/R)-4-HYDROXY-3,5-DIMETHYL-7-[(METHYL)-SULFONYL]-OCT-5-EN-2-ONE
Compound Number 3A-SYN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H20O4S
InChI InChI=1S/C11H20O4S/c1-7(6-8(2)16(5,14)15)11(13)9(3)10(4)12/h6,8-9,11,13H,1-5H3/b7-6-/t8-,9-,11-/m1/s1
InChIKey GXCJHMYCICSVMI-HGNNEEQMSA-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 248.337 g/mol
Sample ID 42446
Solvent CDCl3