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REL-(7S,8R,1'R,3'R)-4'-HYDROXY-3,4-METHYLENEDIOXY-3',5'-DIMETHOXY-2',4'-DIOXO-DELTA(1,3,5,5',8')-8.1',7.3'-NEOLIGNAN
SpectraBase Compound ID ICWJdSvyRn5
InChI InChI=1S/C21H22O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9-10,12,17H,1,8,11H2,2-4H3/t12-,17+,20-,21+/m1/s1
InChIKey DAXMQCJTOGDVIH-WBQKWARHSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID aXjQiG9tsb
Name REL-(7S,8R,1'R,3'R)-4'-HYDROXY-3,4-METHYLENEDIOXY-3',5'-DIMETHOXY-2',4'-DIOXO-DELTA(1,3,5,5',8')-8.1',7.3'-NEOLIGNAN
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-5-8-20-10-16(24-3)18(22)21(25-4,19(20)23)17(12(20)2)13-6-7-14-15(9-13)27-11-26-14/h5-7,9-10,12,17H,1,8,11H2,2-4H3/t12-,17+,20-,21+/m1/s1
InChIKey DAXMQCJTOGDVIH-WBQKWARHSA-N
Literature Reference Author M.FUNASAKI,A.L.L.LORDELLO,A.M.VIANA,C.SANTA-CATARINA,E.I.S.F LOH,M.YOSHIDA
Literature Reference Citation J.BRAZ.CHEM.SOC.,20,853(2009)
Literature Reference DOI 10.1590/s0103-50532009000500008
Molecular Weight 370.402 g/mol
Source File Reference UWBT6175