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acetic acid [(1S,3R)-4-[(3E,5Z,7E,9E,11Z)-11-(4-bromo-5-keto-2-furylidene)-3,10-dimethyl-undeca-1,3,5,7,9-pentaenylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexyl] ester

View entire compound with spectra: 1 NMR

acetic acid [(1S,3R)-4-[(3E,5Z,7E,9E,11Z)-11-(4-bromo-5-keto-2-furylidene)-3,10-dimethyl-undeca-1,3,5,7,9-pentaenylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexyl] ester
SpectraBase Compound ID 6UAbVxLT1JD
InChI InChI=1S/C28H33BrO5/c1-19(11-9-7-8-10-12-20(2)15-22-16-24(29)26(31)34-22)13-14-25-27(4,5)17-23(33-21(3)30)18-28(25,6)32/h7-13,15-16,23,32H,17-18H2,1-6H3/b9-7-,10-8+,19-11+,20-12+,22-15-/t14?,23-,28+/m0/s1
InChIKey HTRJPTBGLQHVBW-DPDMMLQKSA-N
Mol Weight 529.5 g/mol
Molecular Formula C28H33BrO5
Exact Mass 528.151137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhSED952N0h
Name acetic acid [(1S,3R)-4-[(3E,5Z,7E,9E,11Z)-11-(4-bromo-5-keto-2-furylidene)-3,10-dimethyl-undeca-1,3,5,7,9-pentaenylidene]-3-hydroxy-3,5,5-trimethyl-cyclohexyl] ester
Compound Number 20-(Z)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H33BrO5
InChI InChI=1S/C28H33BrO5/c1-19(11-9-7-8-10-12-20(2)15-22-16-24(29)26(31)34-22)13-14-25-27(4,5)17-23(33-21(3)30)18-28(25,6)32/h7-13,15-16,23,32H,17-18H2,1-6H3/b9-7-,10-8+,19-11+,20-12+,22-15-/t14?,23-,28+/m0/s1
InChIKey HTRJPTBGLQHVBW-DPDMMLQKSA-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 529.471 g/mol
Sample ID 42129
Solvent CDCl3