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PTILOMETRIC-ACID;1,6,8-TRIHYDROXY-3-PROPYL-ANTHRAQUINONE-2-CARBOXYLIC-ACID
SpectraBase Compound ID KuvQacuEG0p
InChI InChI=1S/C18H14O7/c1-2-3-7-4-9-14(16(22)12(7)18(24)25)17(23)13-10(15(9)21)5-8(19)6-11(13)20/h4-6,19-20,22H,2-3H2,1H3,(H,24,25)
InChIKey WXABTHKLBMVHEY-UHFFFAOYSA-N
Mol Weight 342.3 g/mol
Molecular Formula C18H14O7
Exact Mass 342.073953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOUTxIuLmBy
Name PTILOMETRIC-ACID;1,6,8-TRIHYDROXY-3-PROPYL-ANTHRAQUINONE-2-CARBOXYLIC-ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14O7
InChI InChI=1S/C18H14O7/c1-2-3-7-4-9-14(16(22)12(7)18(24)25)17(23)13-10(15(9)21)5-8(19)6-11(13)20/h4-6,19-20,22H,2-3H2,1H3,(H,24,25)
InChIKey WXABTHKLBMVHEY-UHFFFAOYSA-N
Literature Reference Author D.TAKAHASHI,T.MAOKA,M.TSUSHIMA,K.FUJITANI,M.KOZUKA,T.MATSUNO ,T.SHINGU
Literature Reference Citation CHEM.PHARM.BULL.,50,1609(2002)
Literature Reference DOI 10.1248/cpb.50.1609
Molecular Weight 342.305 g/mol
Solvent DMSO-D6
Source File Reference UWMS20304