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OCHOLIGNAN-A;(8-BETA,7'-ALPHA,8'-BETA)-4,4',5'-TRIHYDROXY-3,5,3'-TRIMETHOXY-2,7'-CYCLOLIGNAN
SpectraBase Compound ID 9aLBK9225E
InChI InChI=1S/C21H26O6/c1-10-6-12-8-16(26-4)20(24)21(27-5)18(12)17(11(10)2)13-7-14(22)19(23)15(9-13)25-3/h7-11,17,22-24H,6H2,1-5H3/t10-,11-,17-/m0/s1
InChIKey JDTLASIBQWZXNQ-DINDLPBHSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FAAdSi0Ppjk
Name OCHOLIGNAN-A;(8-BETA,7'-ALPHA,8'-BETA)-4,4',5'-TRIHYDROXY-3,5,3'-TRIMETHOXY-2,7'-CYCLOLIGNAN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-10-6-12-8-16(26-4)20(24)21(27-5)18(12)17(11(10)2)13-7-14(22)19(23)15(9-13)25-3/h7-11,17,22-24H,6H2,1-5H3/t10-,11-,17-/m0/s1
InChIKey JDTLASIBQWZXNQ-DINDLPBHSA-N
Literature Reference Author J.F.HU,E.GARO,H.D.YOO,P.A.CREMIN,M.G.GOERING,M.O.NEIL-JOHNSO N,G.R.ELDRIDGE
Literature Reference Citation PHYTOCHEM.,66,1077(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.03.014
Molecular Weight 374.434 g/mol
Solvent CD3OD
Source File Reference UWSI25543