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BIOCHANIN-A-6-O-SULFATE

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BIOCHANIN-A-6-O-SULFATE
SpectraBase Compound ID EuAwFshtpWc
InChI InChI=1S/C16H12O9S/c1-23-9-4-2-8(3-5-9)10-7-24-12-6-11(17)16(25-26(20,21)22)15(19)13(12)14(10)18/h2-7,17,19H,1H3,(H,20,21,22)
InChIKey VEKAJAYERMXDPV-UHFFFAOYSA-N
Mol Weight 380.32 g/mol
Molecular Formula C16H12O9S
Exact Mass 380.020203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A35TkT4zskW
Name BIOCHANIN-A-6-O-SULFATE
Compound Number M-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12O9S
InChI InChI=1S/C16H12O9S/c1-23-9-4-2-8(3-5-9)10-7-24-12-6-11(17)16(25-26(20,21)22)15(19)13(12)14(10)18/h2-7,17,19H,1H3,(H,20,21,22)
InChIKey VEKAJAYERMXDPV-UHFFFAOYSA-N
Literature Reference Author X.BAI,Y.XIE,J.LIU,J.QU,Y.KANO,D.YUAN
Literature Reference Citation DRUG.MET.DISP.,38,281(2010)
Literature Reference DOI 10.1124/dmd.109.028555
Molecular Weight 380.326 g/mol
Source File Reference UWLU74071