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(-)-(4R,5Z)-5-METHYL-7-(METHYLSULFONYL)-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEPT-5-EN-2-ONE
SpectraBase Compound ID 9i4qAXPOJej
InChI InChI=1S/C26H42O4S/c1-16(2)22-14-23(17(3)4)26(24(15-22)18(5)6)21(9)30-25(13-20(8)27)19(7)11-12-31(10,28)29/h11,14-18,21,25H,12-13H2,1-10H3/b19-11-/t21-,25-/m0/s1
InChIKey NESCFTJRCJFAEC-NPYWNRMPSA-N
Mol Weight 450.7 g/mol
Molecular Formula C26H42O4S
Exact Mass 450.280381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbaK2JeVQlF
Name (-)-(4S,5Z)-5-METHYL-7-(METHYLSULFONYL)-3-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEPT-5-EN-2-ONE
Compound Number (1'S,4S)-73
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H42O4S
InChI InChI=1S/C26H42O4S/c1-16(2)22-14-23(17(3)4)26(24(15-22)18(5)6)21(9)30-25(13-20(8)27)19(7)11-12-31(10,28)29/h11,14-18,21,25H,12-13H2,1-10H3/b19-11-/t21-,25-/m0/s1
InChIKey NESCFTJRCJFAEC-NPYWNRMPSA-N
Literature Reference Author V.NARKEVITCH,S.MEGEVAND,K.SCHENK,P.VOGEL
Literature Reference Citation J.ORG.CHEM.,66,5080(2001)
Literature Reference DOI 10.1021/jo0101712
Molecular Weight 450.677 g/mol
Solvent CDCl3
Source File Reference UWLU27141