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(1S,2''R,3R,6S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-2-(4'-BROMOBENZYLIDENE)-6-ISOPROPYL-3-METHYL-CYCLOHEXYLESTER;MAJOR-DIASTEREOMER

View entire compound with spectra: 1 NMR

(1S,2''R,3R,6S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-2-(4'-BROMOBENZYLIDENE)-6-ISOPROPYL-3-METHYL-CYCLOHEXYLESTER;MAJOR-DIASTEREOMER
SpectraBase Compound ID 8RoSJGEwObL
InChI InChI=1S/C30H39BrO2/c1-19(2)17-23-8-12-25(13-9-23)22(6)30(32)33-29-27(20(3)4)16-7-21(5)28(29)18-24-10-14-26(31)15-11-24/h8-15,18-22,27,29H,7,16-17H2,1-6H3/b28-18+/t21-,22-,27+,29+/m1/s1
InChIKey JWPHMIKPFRHGDU-HRXCTONYSA-N
Mol Weight 511.5 g/mol
Molecular Formula C30H39BrO2
Exact Mass 510.213343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7B73h7HZV6s
Name (1S,2''R,3R,6S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-2-(4'-BROMOBENZYLIDENE)-6-ISOPROPYL-3-METHYL-CYCLOHEXYLESTER;MAJOR-DIASTEREOMER
Compound Number 36A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H39BrO2
InChI InChI=1S/C30H39BrO2/c1-19(2)17-23-8-12-25(13-9-23)22(6)30(32)33-29-27(20(3)4)16-7-21(5)28(29)18-24-10-14-26(31)15-11-24/h8-15,18-22,27,29H,7,16-17H2,1-6H3/b28-18+/t21-,22-,27+,29+/m1/s1
InChIKey JWPHMIKPFRHGDU-HRXCTONYSA-N
Literature Reference Author M.AMONGERO,D.VISNOVEZKY,T.S.KAUFMAN
Literature Reference Citation J.BRAZ.CHEM.SOC.,21,1017(2010)
Literature Reference DOI 10.1590/s0103-50532010000600011
Molecular Weight 511.542 g/mol
Source File Reference UWBT5934