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SHANCIOL-A;4'-HYDROXY-3',5',7-TRIMETHOXY-5-(3''-HYDROXYPHENETHYL)-FLAVAN-3-OL
SpectraBase Compound ID LdlP1C4WXyx
InChI InChI=1S/C26H28O7/c1-30-19-10-16(8-7-15-5-4-6-18(27)9-15)20-14-21(28)26(33-22(20)13-19)17-11-23(31-2)25(29)24(12-17)32-3/h4-6,9-13,21,26-29H,7-8,14H2,1-3H3/t21-,26+/m0/s1
InChIKey WDWBDTMIXFXVMO-HFZDXXHNSA-N
Mol Weight 452.5 g/mol
Molecular Formula C26H28O7
Exact Mass 452.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5cGLm7RNaTV
Name SHANCIOL-A;4'-HYDROXY-3',5',7-TRIMETHOXY-5-(3''-HYDROXYPHENETHYL)-FLAVAN-3-OL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28O7
InChI InChI=1S/C26H28O7/c1-30-19-10-16(8-7-15-5-4-6-18(27)9-15)20-14-21(28)26(33-22(20)13-19)17-11-23(31-2)25(29)24(12-17)32-3/h4-6,9-13,21,26-29H,7-8,14H2,1-3H3/t21-,26+/m0/s1
InChIKey WDWBDTMIXFXVMO-HFZDXXHNSA-N
Literature Reference Author L.BAI,M.YAMAKI,S.TAKAGI
Literature Reference Citation PHYTOCHEM.,47,1125(1998)
Literature Reference DOI 10.1016/S0031-9422(97)00673-0
Molecular Weight 452.504 g/mol
Solvent CD3OD
Source File Reference UWMS509