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THREO-CAROLIGNAN-K;THREO-1-(4-HYDROXY-3-METHOXYPHENYL)-3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-2-[4-[3-(4-HYDROXYCINNAMOYLOXY)-1-PROPENYL]-2-METHOXYPHE
SpectraBase Compound ID Gcf7lqIQ0Yg
InChI InChI=1S/C39H38O12/c1-46-33-21-27(8-15-30(33)41)11-19-38(44)50-24-36(39(45)28-12-16-31(42)34(23-28)47-2)51-32-17-9-26(22-35(32)48-3)5-4-20-49-37(43)18-10-25-6-13-29(40)14-7-25/h4-19,21-23,36,39-42,45H,20,24H2,1-3H3/b5-4+,18-10+,19-11+/t36-,39-/m0/s1
InChIKey IWBDRHYLRFFEFZ-KOJIKQPUSA-N
Mol Weight 698.7 g/mol
Molecular Formula C39H38O12
Exact Mass 698.236327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DWZ1QhXuhn4
Name THREO-CAROLIGNAN-K;THREO-1-(4-HYDROXY-3-METHOXYPHENYL)-3-(4-HYDROXY-3-METHOXYCINNAMOYLOXY)-2-[4-[3-(4-HYDROXYCINNAMOYLOXY)-1-PROPENYL]-2-METHOXYPHE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H38O12
InChI InChI=1S/C39H38O12/c1-46-33-21-27(8-15-30(33)41)11-19-38(44)50-24-36(39(45)28-12-16-31(42)34(23-28)47-2)51-32-17-9-26(22-35(32)48-3)5-4-20-49-37(43)18-10-25-6-13-29(40)14-7-25/h4-19,21-23,36,39-42,45H,20,24H2,1-3H3/b5-4+,18-10+,19-11+/t36-,39-/m0/s1
InChIKey IWBDRHYLRFFEFZ-KOJIKQPUSA-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 698.724 g/mol
Solvent CDCl3
Source File Reference UWVN2029