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4',7-DI-O-ACETYL-DAIDZEIN-8-C-(2,3-DI-O-ACETYL)-GLUCURONIC-ACID;ISOMER-(A)
SpectraBase Compound ID K657ghvOYxf
InChI InChI=1S/C29H26O14/c1-12(30)39-17-7-5-16(6-8-17)19-11-38-24-18(22(19)34)9-10-20(40-13(2)31)21(24)25-28(42-15(4)33)26(41-14(3)32)23(35)27(43-25)29(36)37/h5-11,23,25-28,35H,1-4H3,(H,36,37)/t23-,25-,26-,27-,28-/m0/s1
InChIKey XNPSKCMCQXJWIE-BLVAWXTGSA-N
Mol Weight 598.51 g/mol
Molecular Formula C29H26O14
Exact Mass 598.132256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 57Q5hpmHvgM
Name 4',7-DI-O-ACETYL-DAIDZEIN-8-C-(2,3-DI-O-ACETYL)-GLUCURONIC-ACID;ISOMER-(A)
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26O14
InChI InChI=1S/C29H26O14/c1-12(30)39-17-7-5-16(6-8-17)19-11-38-24-18(22(19)34)9-10-20(40-13(2)31)21(24)25-28(42-15(4)33)26(41-14(3)32)23(35)27(43-25)29(36)37/h5-11,23,25-28,35H,1-4H3,(H,36,37)/t23-,25-,26-,27-,28-/m0/s1
InChIKey XNPSKCMCQXJWIE-BLVAWXTGSA-N
Literature Reference Author K.NAKAMURA,T.NISHIHATA,J.S.JIN,C.M.MA,K.KOMATSU,M.IWASHIMA,M .HATTORI
Literature Reference Citation CHEM.PHARM.BULL.,59,23(2011)
Literature Reference DOI 10.1248/cpb.59.23
Molecular Weight 598.517 g/mol
Sample ID 2606
Solvent DMSO-D6