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(1S,2''S,5S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYL-CYCLOHEX-2-ENYLESTER;MAJOR-DIASTEREOMER
SpectraBase Compound ID 5ZXxVmwHzGU
InChI InChI=1S/C29H36O2/c1-19(2)16-23-12-14-24(15-13-23)21(5)29(30)31-28-18-26(20(3)4)17-27(22(28)6)25-10-8-7-9-11-25/h7-15,19,21,26,28H,3,16-18H2,1-2,4-6H3/t21-,26+,28+/m1/s1
InChIKey OHWOIOCXYCSNFT-LARUCZGFSA-N
Mol Weight 416.6 g/mol
Molecular Formula C29H36O2
Exact Mass 416.27153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2sVbJIFTaIa
Name (1S,2''S,5S)-2-(4-ISOBUTYLPHENYL)-PROPIONIC-ACID-5-ISOPROPENYL-2-METHYL-3-PHENYL-CYCLOHEX-2-ENYLESTER;MAJOR-DIASTEREOMER
Compound Number 26A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O2
InChI InChI=1S/C29H36O2/c1-19(2)16-23-12-14-24(15-13-23)21(5)29(30)31-28-18-26(20(3)4)17-27(22(28)6)25-10-8-7-9-11-25/h7-15,19,21,26,28H,3,16-18H2,1-2,4-6H3/t21-,26+,28+/m1/s1
InChIKey OHWOIOCXYCSNFT-LARUCZGFSA-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 416.604 g/mol
Source File Reference UWBT5922