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(1S,3R,4A-S)-4-[(3-E,5-Z,7-E)-3-HYDROXY-3-METHYL-8-(TRIBUTYLSTANNYL)-OCTA-1,3,5,7-TETRAENYLIDENE]-3,5,5-TRIMETHYLCYCLOHEXYL-ACETATE

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(1S,3R,4A-S)-4-[(3-E,5-Z,7-E)-3-HYDROXY-3-METHYL-8-(TRIBUTYLSTANNYL)-OCTA-1,3,5,7-TETRAENYLIDENE]-3,5,5-TRIMETHYLCYCLOHEXYL-ACETATE
SpectraBase Compound ID 3uPkaXi3E4q
InChI InChI=1S/C20H27O3.3C4H9.Sn/c1-7-8-9-10-15(2)11-12-18-19(4,5)13-17(23-16(3)21)14-20(18,6)22;3*1-3-4-2;/h1,7-11,17,22H,13-14H2,2-6H3;3*1,3-4H2,2H3;/b7-1?,9-8-,15-10+;;;;/t12?,17-,20+;;;;/m0..../s1
InChIKey YEZHEFJQGZMENC-QOKROVLBSA-N
Mol Weight 605.5 g/mol
Molecular Formula C32H54O3Sn
Exact Mass 606.309498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 20WPKimbneo
Name (1S,3R,4A-S)-4-[(3-E,5-Z,7-E)-3-HYDROXY-3-METHYL-8-(TRIBUTYLSTANNYL)-OCTA-1,3,5,7-TETRAENYLIDENE]-3,5,5-TRIMETHYLCYCLOHEXYL-ACETATE
Compound Number 4-(4A-S,5'-Z)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H54O3Sn
InChI InChI=1S/C20H27O3.3C4H9.Sn/c1-7-8-9-10-15(2)11-12-18-19(4,5)13-17(23-16(3)21)14-20(18,6)22;3*1-3-4-2;/h1,7-11,17,22H,13-14H2,2-6H3;3*1,3-4H2,2H3;/b7-1?,9-8-,15-10+;;;;/t12?,17-,20+;;;;/m0..../s1
InChIKey YEZHEFJQGZMENC-QOKROVLBSA-N
Literature Reference Author B.VAZ,R.ALVAREZ,R.BRUECKNER,A.R.D.LERA
Literature Reference Citation ORG.LETTERS,7,545(2005)
Literature Reference DOI 10.1021/ol0478281
Molecular Weight 605.469 g/mol
Sample ID 42128
Solvent C6D6