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NECTANDRIN-A;REL-(7S,8S,7'R,8'R)-4'-HYDROXY-3,4,3'-TRIMETHOXY-DELTA(1,3,5,1',3',5')-8.8',7.O.7'-NEOLIGNAN
SpectraBase Compound ID DtXSnwUfwP2
InChI InChI=1S/C21H26O5/c1-12-13(2)21(15-7-9-17(23-3)19(11-15)25-5)26-20(12)14-6-8-16(22)18(10-14)24-4/h6-13,20-22H,1-5H3/t12-,13+,20-,21+/m1/s1
InChIKey YPQNDHHCUQGPFN-QVEMZERUSA-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 KuJ6WzaqVh1
Name NECTANDRIN-A;REL-(7S,8S,7'R,8'R)-4'-HYDROXY-3,4,3'-TRIMETHOXY-DELTA(1,3,5,1',3',5')-8.8',7.O.7'-NEOLIGNAN
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-12-13(2)21(15-7-9-17(23-3)19(11-15)25-5)26-20(12)14-6-8-16(22)18(10-14)24-4/h6-13,20-22H,1-5H3/t12-,13+,20-,21+/m1/s1
InChIKey YPQNDHHCUQGPFN-QVEMZERUSA-N
Literature Reference Author S.K.R.MORAIS,A.F.TEIXEIRA,Z.E.D.S.TORRES,S.M.NUNOMURA,E.H.YO MASHIRO-KANASHIRO
Literature Reference Citation J.BRAZ.CHEM.SOC.,20,1110(2009)
Literature Reference DOI 10.1590/s0103-50532009000600017
Molecular Weight 358.434 g/mol
Source File Reference UWBT6212