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TECTORIGENIN-7-O-SULFATE

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TECTORIGENIN-7-O-SULFATE
SpectraBase Compound ID BijYLiXHO59
InChI InChI=1S/C16H12O9S/c1-23-16-12(25-26(20,21)22)6-11-13(15(16)19)14(18)10(7-24-11)8-2-4-9(17)5-3-8/h2-7,17,19H,1H3,(H,20,21,22)
InChIKey KUJUUJDSDSCNMZ-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 KVM1DNjrGfN
Name TECTORIGENIN-7-O-SULFATE
Compound Number M-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12O9S
InChI InChI=1S/C16H12O9S/c1-23-16-12(25-26(20,21)22)6-11-13(15(16)19)14(18)10(7-24-11)8-2-4-9(17)5-3-8/h2-7,17,19H,1H3,(H,20,21,22)
InChIKey KUJUUJDSDSCNMZ-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 UWLU74069