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(-)-4'-O-DEMETHYL-8-HYDROXYISOGALBULIN;(7'-R,8-S,8'-S)-8,8'-DIMETHYL-4'-HYDROXY-3',4,5-TRIMETHOXY-2,7'-CYCLOLIGNAN-8-OL
SpectraBase Compound ID ANbX0fO1DYI
InChI InChI=1S/C21H26O5/c1-12-20(13-6-7-16(22)17(8-13)24-3)15-10-19(26-5)18(25-4)9-14(15)11-21(12,2)23/h6-10,12,20,22-23H,11H2,1-5H3/t12-,20+,21-/m0/s1
InChIKey ILPKIWSJRANONE-QDEDPJFRSA-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 93EnVGqNoOU
Name (-)-4'-O-DEMETHYL-8-HYDROXYISOGALBULIN;(7'-R,8-S,8'-S)-8,8'-DIMETHYL-4'-HYDROXY-3',4,5-TRIMETHOXY-2,7'-CYCLOLIGNAN-8-OL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-12-20(13-6-7-16(22)17(8-13)24-3)15-10-19(26-5)18(25-4)9-14(15)11-21(12,2)23/h6-10,12,20,22-23H,11H2,1-5H3/t12-,20+,21-/m0/s1
InChIKey ILPKIWSJRANONE-QDEDPJFRSA-N
Literature Reference Author G.B.MESSIANO,E.M.K.WIJERATNE,L.M.X.LOPES,A.A.L.GUNATILAKA
Literature Reference Citation J.NAT.PROD.,73,1933(2010)
Literature Reference DOI 10.1021/np100607s
Molecular Weight 358.434 g/mol
Sample ID 37100
Solvent CDCl3