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(-)-[SS,1Z,5E,N(1S),3R,4R]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-3-METHYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1,5-HEPTADIENE-4-OL

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(-)-[SS,1Z,5E,N(1S),3R,4R]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-3-METHYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1,5-HEPTADIENE-4-OL
SpectraBase Compound ID 4H3GnEIbuGk
InChI InChI=1S/C20H31NO3S/c1-6-7-20(23)17(5)12-13-25(24,21-19(14-22)15(2)3)18-10-8-16(4)9-11-18/h6-13,15,17,19-20,22-23H,14H2,1-5H3/b7-6+,13-12-/t17-,19+,20+,25?/m1/s1
InChIKey PMYGIDWDMMASPF-DFMCIFQASA-N
Mol Weight 365.53 g/mol
Molecular Formula C20H31NO3S
Exact Mass 365.202465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bz5dTF269YT
Name (-)-[SS,1Z,5E,N(1S),3R,4R]-N-[1-(HYDROXYMETHYL)-2-METHYLPROPYL]-3-METHYL-1-(4-METHYLPHENYLSULFONIMIDOYL)-1,5-HEPTADIENE-4-OL
Compound Number 18D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31NO3S
InChI InChI=1S/C20H31NO3S/c1-6-7-20(23)17(5)12-13-25(24,21-19(14-22)15(2)3)18-10-8-16(4)9-11-18/h6-13,15,17,19-20,22-23H,14H2,1-5H3/b7-6+,13-12-/t17-,19+,20+,25?/m1/s1
InChIKey PMYGIDWDMMASPF-DFMCIFQASA-N
Literature Reference Author M.REGGELIN,H.WEINBERGER,M.GERLACH,R.WELCKER
Literature Reference Citation J.AM.CHEM.SOC.,118,4765(1996)
Literature Reference DOI 10.1021/ja9530735
Molecular Weight 365.531 g/mol
Sample ID 45888
Solvent CDCl3