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(-)-(5S,6Z,8R)-2,2,6-TRIMETHYL-8-(METHYLSULFONYL)-5-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-NON-6-EN-3-ONE
SpectraBase Compound ID 71wK4Kqcr1b
InChI InChI=1S/C30H50O4S/c1-18(2)24-15-25(19(3)4)29(26(16-24)20(5)6)23(9)34-27(17-28(31)30(10,11)12)21(7)14-22(8)35(13,32)33/h14-16,18-20,22-23,27H,17H2,1-13H3/b21-14-/t22?,23?,27-/m0/s1
InChIKey QJTXTGNMIPVKAM-XNOLFSLDSA-N
Mol Weight 506.8 g/mol
Molecular Formula C30H50O4S
Exact Mass 506.342981 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cchvhj2xfjh
Name (-)-(5S,6Z,8R)-2,2,6-TRIMETHYL-8-(METHYLSULFONYL)-5-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-NON-6-EN-3-ONE
Compound Number 94
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H50O4S
InChI InChI=1S/C30H50O4S/c1-18(2)24-15-25(19(3)4)29(26(16-24)20(5)6)23(9)34-27(17-28(31)30(10,11)12)21(7)14-22(8)35(13,32)33/h14-16,18-20,22-23,27H,17H2,1-13H3/b21-14-/t22?,23?,27-/m0/s1
InChIKey QJTXTGNMIPVKAM-XNOLFSLDSA-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 506.785 g/mol
Solvent CDCl3
Source File Reference UWLU27156