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(+/-)-(3RS,4Z,6SR)-1-CYCLOPROPYL-4-METHYL-6-(METHYLSULFONYL)-3-[(RS)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEPT-4-EN-1-ONE

View entire compound with spectra: 1 NMR

(+/-)-(3RS,4Z,6SR)-1-CYCLOPROPYL-4-METHYL-6-(METHYLSULFONYL)-3-[(RS)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEPT-4-EN-1-ONE
SpectraBase Compound ID I6FJCvEPMqA
InChI InChI=1S/C29H46O4S/c1-17(2)24-14-25(18(3)4)29(26(15-24)19(5)6)22(9)33-28(16-27(30)23-11-12-23)20(7)13-21(8)34(10,31)32/h13-15,17-19,21-23,28H,11-12,16H2,1-10H3/b20-13-/t21?,22?,28-/m1/s1
InChIKey SWFQXVCJNGKSHQ-KTURUIHYSA-N
Mol Weight 490.7 g/mol
Molecular Formula C29H46O4S
Exact Mass 490.311681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3mXHMpnbnvp
Name (+/-)-(3RS,4Z,6SR)-1-CYCLOPROPYL-4-METHYL-6-(METHYLSULFONYL)-3-[(RS)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-HEPT-4-EN-1-ONE
Compound Number 96
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O4S
InChI InChI=1S/C29H46O4S/c1-17(2)24-14-25(18(3)4)29(26(15-24)19(5)6)22(9)33-28(16-27(30)23-11-12-23)20(7)13-21(8)34(10,31)32/h13-15,17-19,21-23,28H,11-12,16H2,1-10H3/b20-13-/t21?,22?,28-/m1/s1
InChIKey SWFQXVCJNGKSHQ-KTURUIHYSA-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 490.742 g/mol
Solvent CDCl3
Source File Reference UWLU27157