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#15B;(+)-(E,S(S),4S,1'R)-4-[3'-(N-METHYL-S-PHENYLSULFONIMIDOYL)-1'-ISOPROPYL-ALLYL]-5-OXO-1,3-BIS-(TOLUENE-4-SULFONYL)-IMIDAZOLIDINE-2-CARBOXYLIC-ACETIC-ACID-E

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#15B;(+)-(E,S(S),4S,1'R)-4-[3'-(N-METHYL-S-PHENYLSULFONIMIDOYL)-1'-ISOPROPYL-ALLYL]-5-OXO-1,3-BIS-(TOLUENE-4-SULFONYL)-IMIDAZOLIDINE-2-CARBOXYLIC-ACETIC-ACID-E
SpectraBase Compound ID WMepAg3HyZ
InChI InChI=1S/C33H39N3O8S3/c1-7-44-33(38)31-35(46(40,41)27-17-13-24(4)14-18-27)30(32(37)36(31)47(42,43)28-19-15-25(5)16-20-28)29(23(2)3)21-22-45(39,34-6)26-11-9-8-10-12-26/h8-23,29-31H,7H2,1-6H3/b22-21+/t29-,30?,31+,45?/m0/s1
InChIKey YRLDCSFRROBVSV-NBWFZKFJSA-N
Mol Weight 701.9 g/mol
Molecular Formula C33H39N3O8S3
Exact Mass 701.189929 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Ld5GbqSfFW
Name #15B;(+)-(E,S(S),4S,1'R)-4-[3'-(N-METHYL-S-PHENYLSULFONIMIDOYL)-1'-ISOPROPYL-ALLYL]-5-OXO-1,3-BIS-(TOLUENE-4-SULFONYL)-IMIDAZOLIDINE-2-CARBOXYLIC-ACETIC-ACID-E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H39N3O8S3
InChI InChI=1S/C33H39N3O8S3/c1-7-44-33(38)31-35(46(40,41)27-17-13-24(4)14-18-27)30(32(37)36(31)47(42,43)28-19-15-25(5)16-20-28)29(23(2)3)21-22-45(39,34-6)26-11-9-8-10-12-26/h8-23,29-31H,7H2,1-6H3/b22-21+/t29-,30?,31+,45?/m0/s1
InChIKey YRLDCSFRROBVSV-NBWFZKFJSA-N
Literature Reference Author M.SCHLEUSNER,H.J.GAIS,S.KOEP,G.RAABE
Literature Reference Citation J.AM.CHEM.SOC.,124,7789(2002)
Literature Reference DOI 10.1021/ja0201799
Molecular Weight 701.868 g/mol
Sample ID 49725
Solvent CDCl3