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6-(4''-HYDROXY-5''-METHOXY)-PHENYL-2-[2'-HYDROXY-4',5'-(METHYLENEDIOXY)-PHENYL]-3,7-DIOXABICYCLO-[3.3.0]-OCTANE;5''-METHYLATED-SESAMINOL-6-CATECHOL;PEAK-B1
SpectraBase Compound ID 3DmNtsMdi5e
InChI InChI=1S/C20H20O7/c1-23-16-4-10(2-3-14(16)21)19-12-7-25-20(13(12)8-24-19)11-5-17-18(6-15(11)22)27-9-26-17/h2-6,12-13,19-22H,7-9H2,1H3/t12?,13?,19-,20-/m1/s1
InChIKey OBBPXKPMHFTNDB-ZACCDXADSA-N
Mol Weight 372.37 g/mol
Molecular Formula C20H20O7
Exact Mass 372.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F6KgDrjGSTO
Name 6-(4''-HYDROXY-5''-METHOXY)-PHENYL-2-[2'-HYDROXY-4',5'-(METHYLENEDIOXY)-PHENYL]-3,7-DIOXABICYCLO-[3.3.0]-OCTANE;5''-METHYLATED-SESAMINOL-6-CATECHOL;PEAK-B1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20O7
InChI InChI=1S/C20H20O7/c1-23-16-4-10(2-3-14(16)21)19-12-7-25-20(13(12)8-24-19)11-5-17-18(6-15(11)22)27-9-26-17/h2-6,12-13,19-22H,7-9H2,1H3/t12?,13?,19-,20-/m1/s1
InChIKey OBBPXKPMHFTNDB-ZACCDXADSA-N
Literature Reference Author M.MOCHIZUKI,Y.TSUCHIE,Y.NAKAMURA,T.OSAWA
Literature Reference Citation J.AGR.FOOD.CHEM.,57,10429(2009)
Literature Reference DOI 10.1021/jf901939m
Molecular Weight 372.375 g/mol
Sample ID 68228
Solvent DMSO-D6