John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BknFmmfxAMK SpectraBase Spectrum ID=10XxY5Pf7sF

(accessed ).
BOEHMENAN-D;2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-5-[3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-PROPYL]-3-(4-HYDROXY-3-METHOXYCINNAMOYLOXYMETHY)-7-METHOXYBENZ
SpectraBase Compound ID BknFmmfxAMK
InChI InChI=1S/C41H42O13/c1-47-32-18-24(8-12-30(32)42)10-14-37(44)52-16-6-7-26-17-28-29(23-53-38(45)15-11-25-9-13-31(43)33(19-25)48-2)40(54-41(28)36(20-26)51-5)27-21-34(49-3)39(46)35(22-27)50-4/h8-15,17-22,29,40,42-43,46H,6-7,16,23H2,1-5H3/b14-10+,15-11+/t29-,40+/m0/s1
InChIKey QJHLWANOBFZANN-BMJLXRFUSA-N
Mol Weight 742.8 g/mol
Molecular Formula C41H42O13
Exact Mass 742.262542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10XxY5Pf7sF
Name BOEHMENAN-D;2-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-5-[3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-PROPYL]-3-(4-HYDROXY-3-METHOXYCINNAMOYLOXYMETHY)-7-METHOXYBENZ
Compound Number 8
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H42O13
InChI InChI=1S/C41H42O13/c1-47-32-18-24(8-12-30(32)42)10-14-37(44)52-16-6-7-26-17-28-29(23-53-38(45)15-11-25-9-13-31(43)33(19-25)48-2)40(54-41(28)36(20-26)51-5)27-21-34(49-3)39(46)35(22-27)50-4/h8-15,17-22,29,40,42-43,46H,6-7,16,23H2,1-5H3/b14-10+,15-11+/t29-,40+/m0/s1
InChIKey QJHLWANOBFZANN-BMJLXRFUSA-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 742.777 g/mol
Solvent CDCl3
Source File Reference UWVN2034
SpectraBase Batch ID GpOKohsujnu