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ALPHITONIN;2-BENZYL-2,3',4,4',6-PENTAHYDROXY-3-COUMARANONE
SpectraBase Compound ID FZkd5f5JOFk
InChI InChI=1S/C15H12O7/c16-8-4-11(19)13-12(5-8)22-15(21,14(13)20)6-7-1-2-9(17)10(18)3-7/h1-5,16-19,21H,6H2/t15-/m1/s1
InChIKey VCLACNNZBMRRES-OAHLLOKOSA-N
Mol Weight 304.25 g/mol
Molecular Formula C15H12O7
Exact Mass 304.058303 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44WmyOPFg3u
Name ALPHITONIN;2-BENZYL-2,3',4,4',6-PENTAHYDROXY-3-COUMARANONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H12O7
InChI InChI=1S/C15H12O7/c16-8-4-11(19)13-12(5-8)22-15(21,14(13)20)6-7-1-2-9(17)10(18)3-7/h1-5,16-19,21H,6H2/t15-/m1/s1
InChIKey VCLACNNZBMRRES-OAHLLOKOSA-N
Literature Reference Author E.KIEHLMANN,E.P.M.LI
Literature Reference Citation J.NAT.PROD.,58,450(1995)
Literature Reference DOI 10.1021/np50117a018
Molecular Weight 304.256 g/mol
Solvent ACETONE-D6
Source File Reference UWMR20