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THREO-CAROLIGNAN-E;ERYTHRO-1-(4-HYDROXY-3-METHOXYPHENYL)-3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-2-[4-[3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-PROPYL]-2-ME
SpectraBase Compound ID 9UNADZ0nUzk
InChI InChI=1S/C40H42O13/c1-47-33-20-26(7-13-29(33)41)10-17-38(44)51-19-5-6-25-9-16-32(36(22-25)50-4)53-37(40(46)28-12-15-31(43)35(23-28)49-3)24-52-39(45)18-11-27-8-14-30(42)34(21-27)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3/b17-10+,18-11+/t37-,40-/m0/s1
InChIKey CXFBVHGWTGTGBR-QYQWMRSMSA-N
Mol Weight 730.8 g/mol
Molecular Formula C40H42O13
Exact Mass 730.262541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzCPpBOfnh7
Name THREO-CAROLIGNAN-E;ERYTHRO-1-(4-HYDROXY-3-METHOXYPHENYL)-3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-2-[4-[3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-PROPYL]-2-ME
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H42O13
InChI InChI=1S/C40H42O13/c1-47-33-20-26(7-13-29(33)41)10-17-38(44)51-19-5-6-25-9-16-32(36(22-25)50-4)53-37(40(46)28-12-15-31(43)35(23-28)49-3)24-52-39(45)18-11-27-8-14-30(42)34(21-27)48-2/h7-18,20-23,37,40-43,46H,5-6,19,24H2,1-4H3/b17-10+,18-11+/t37-,40-/m0/s1
InChIKey CXFBVHGWTGTGBR-QYQWMRSMSA-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 730.766 g/mol
Solvent CDCl3
Source File Reference UWVN2033