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SECO-OTOBAIN;REL-(2S,3R,4R)-2,3-DIMETHYL-4-(3',4'-DIMETHOXYPHENYL)-4-(3'',4''-METHYLENEDIOXYPHENYL)-BUTAN-1-OL
SpectraBase Compound ID ChXjqWsVoiN
InChI InChI=1S/C21H26O5/c1-13(11-22)14(2)21(15-5-7-17(23-3)19(9-15)24-4)16-6-8-18-20(10-16)26-12-25-18/h5-10,13-14,21-22H,11-12H2,1-4H3/t13-,14+,21-/m1/s1
InChIKey KGDBNDDWKNDHSU-HKZYLEAXSA-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 1f6lEOUrKb0
Name SECO-OTOBAIN;REL-(2S,3R,4R)-2,3-DIMETHYL-4-(3',4'-DIMETHOXYPHENYL)-4-(3'',4''-METHYLENEDIOXYPHENYL)-BUTAN-1-OL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-13(11-22)14(2)21(15-5-7-17(23-3)19(9-15)24-4)16-6-8-18-20(10-16)26-12-25-18/h5-10,13-14,21-22H,11-12H2,1-4H3/t13-,14+,21-/m1/s1
InChIKey KGDBNDDWKNDHSU-HKZYLEAXSA-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 UWBT6205