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(3S,5S)-3,5-DI-(4-BROMOBENZOYLOXY)-1,7-BIS-(3,4,5-TRIMETHOXYPHENYL)-HEPTANE
SpectraBase Compound ID D1Bu8ouROqE
InChI InChI=1S/C39H42Br2O10/c1-44-32-19-24(20-33(45-2)36(32)48-5)7-17-30(50-38(42)26-9-13-28(40)14-10-26)23-31(51-39(43)27-11-15-29(41)16-12-27)18-8-25-21-34(46-3)37(49-6)35(22-25)47-4/h9-16,19-22,30-31H,7-8,17-18,23H2,1-6H3/t30-,31-/m0/s1
InChIKey HCMAXMCYOJSNGB-CONSDPRKSA-N
Mol Weight 830.6 g/mol
Molecular Formula C39H42Br2O10
Exact Mass 828.114474 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HtlKL9asyt
Name (3S,5S)-3,5-DI-(4-BROMOBENZOYLOXY)-1,7-BIS-(3,4,5-TRIMETHOXYPHENYL)-HEPTANE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H42Br2O10
InChI InChI=1S/C39H42Br2O10/c1-44-32-19-24(20-33(45-2)36(32)48-5)7-17-30(50-38(42)26-9-13-28(40)14-10-26)23-31(51-39(43)27-11-15-29(41)16-12-27)18-8-25-21-34(46-3)37(49-6)35(22-25)47-4/h9-16,19-22,30-31H,7-8,17-18,23H2,1-6H3/t30-,31-/m0/s1
InChIKey HCMAXMCYOJSNGB-CONSDPRKSA-N
Literature Reference Author A.CHAREONKLA,M.POHMAKOTR,V.REUTRAKUL,C.YOOSOOK,J.KASISIT,C.N APASWAD,P.TUCHINDA
Literature Reference Citation FITOTERAPIA,82,534(2011)
Literature Reference DOI 10.1016/j.fitote.2011.01.002
Molecular Weight 830.564 g/mol
Solvent CDCl3
Source File Reference UWDB1084