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(-)-(4R,5S,6Z,8R)-4,6-DIMETHYL-8-(METHYLSULFONYL)-5-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-NON-6-EN-3-ONE
SpectraBase Compound ID FbP2DP7v4p3
InChI InChI=1S/C29H48O4S/c1-13-27(30)22(10)29(20(8)14-21(9)34(12,31)32)33-23(11)28-25(18(4)5)15-24(17(2)3)16-26(28)19(6)7/h14-19,21-23,29H,13H2,1-12H3/b20-14-/t21-,22+,23+,29?/m1/s1
InChIKey GMIBHZVZMQGAPL-NLEGYABDSA-N
Mol Weight 492.8 g/mol
Molecular Formula C29H48O4S
Exact Mass 492.327331 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQHcVSmAleb
Name (-)-(4R,5S,6Z,8R)-4,6-DIMETHYL-8-(METHYLSULFONYL)-5-[(S)-1-(2,4,6-TRIISOPROPYLPHENYL)-ETHOXY]-NON-6-EN-3-ONE
Compound Number 100
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H48O4S
InChI InChI=1S/C29H48O4S/c1-13-27(30)22(10)29(20(8)14-21(9)34(12,31)32)33-23(11)28-25(18(4)5)15-24(17(2)3)16-26(28)19(6)7/h14-19,21-23,29H,13H2,1-12H3/b20-14-/t21-,22+,23+,29?/m1/s1
InChIKey GMIBHZVZMQGAPL-NLEGYABDSA-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 492.758 g/mol
Solvent CDCl3
Source File Reference UWLU27160