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(7S,8S,1'R,4'R,5'S)-4'-HYDROXY-3,4,3'-TRIMETHOXY-6'-OXO-8.1',7.5'-NEOLIGNAN-DELTA
SpectraBase Compound ID 71AG5RCIEAD
InChI InChI=1S/C21H26O5/c1-6-9-21-11-16(26-5)19(22)18(20(21)23)17(12(21)2)13-7-8-14(24-3)15(10-13)25-4/h6-8,10-12,17-19,22H,1,9H2,2-5H3/t12-,17+,18-,19-,21-/m0/s1
InChIKey CGPVZAXPDUNVCK-QWJHBKARSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Qv4yEOXomj
Name (7S,8S,1'R,4'R,5'S)-4'-HYDROXY-3,4,3'-TRIMETHOXY-6'-OXO-8.1',7.5'-NEOLIGNAN-DELTA
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-6-9-21-11-16(26-5)19(22)18(20(21)23)17(12(21)2)13-7-8-14(24-3)15(10-13)25-4/h6-8,10-12,17-19,22H,1,9H2,2-5H3/t12-,17+,18-,19-,21-/m0/s1
InChIKey CGPVZAXPDUNVCK-QWJHBKARSA-N
Literature Reference Author M.H.ROSSI,M.YOSHIDA,J.G.S.MAIA
Literature Reference Citation PHYTOCHEM.,45,1263(1997)
Literature Reference DOI 10.1016/S0031-9422(97)00075-7
Molecular Weight 358.434 g/mol
Solvent CDCl3
Source File Reference UWSP537