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BOEHMENAN;2-(4-HYDROXY-3-METHOXYPHENYL)-5-[3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-PROPYL]-3-(4-HYDROXY-3-METHOXYCINNAMOYLOXYMETHYL)-7-METHOXYBENZODIHY
SpectraBase Compound ID HlMzyXPAE4G
InChI InChI=1S/C40H40O12/c1-46-33-19-24(7-12-30(33)41)9-15-37(44)50-17-5-6-26-18-28-29(23-51-38(45)16-10-25-8-13-31(42)34(20-25)47-2)39(52-40(28)36(21-26)49-4)27-11-14-32(43)35(22-27)48-3/h7-16,18-22,29,39,41-43H,5-6,17,23H2,1-4H3/b15-9+,16-10+/t29-,39+/m0/s1
InChIKey OVFZHMPISOASDF-KAWLIXCBSA-N
Mol Weight 712.7 g/mol
Molecular Formula C40H40O12
Exact Mass 712.251977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmQc4IOdM3p
Name BOEHMENAN;2-(4-HYDROXY-3-METHOXYPHENYL)-5-[3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-PROPYL]-3-(4-HYDROXY-3-METHOXYCINNAMOYLOXYMETHYL)-7-METHOXYBENZODIHY
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H40O12
InChI InChI=1S/C40H40O12/c1-46-33-19-24(7-12-30(33)41)9-15-37(44)50-17-5-6-26-18-28-29(23-51-38(45)16-10-25-8-13-31(42)34(20-25)47-2)39(52-40(28)36(21-26)49-4)27-11-14-32(43)35(22-27)48-3/h7-16,18-22,29,39,41-43H,5-6,17,23H2,1-4H3/b15-9+,16-10+/t29-,39+/m0/s1
InChIKey OVFZHMPISOASDF-KAWLIXCBSA-N
Literature Reference Author A.M.L.SECA,A.M.S.SILVA,A.J.D.SILVESTRE,J.A.S.CAVALEIRO,F.M.J .DOMINGUES,C.PASCOAL
Literature Reference Citation PHYTOCHEM.,56,759(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00473-8
Molecular Weight 712.750 g/mol
Solvent CDCl3
Source File Reference UWVN2031