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1,8-DIHYDROXY-4-[(4-METHYLPHENYL)-HYDROXYMETHYL]-3-(4-METHYLPHENYL)-9H-XANTHEN-9-ONE
SpectraBase Compound ID K3MtB5AP8lY
InChI InChI=1S/C28H22O5/c1-15-6-10-17(11-7-15)19-14-21(30)25-27(32)24-20(29)4-3-5-22(24)33-28(25)23(19)26(31)18-12-8-16(2)9-13-18/h3-14,26,29-31H,1-2H3
InChIKey UIZCOBHAYLYIBH-UHFFFAOYSA-N
Mol Weight 438.48 g/mol
Molecular Formula C28H22O5
Exact Mass 438.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I4g5itq0UNk
Name 1,8-DIHYDROXY-4-[(4-METHYLPHENYL)-HYDROXYMETHYL]-3-(4-METHYLPHENYL)-9H-XANTHEN-9-ONE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22O5
InChI InChI=1S/C28H22O5/c1-15-6-10-17(11-7-15)19-14-21(30)25-27(32)24-20(29)4-3-5-22(24)33-28(25)23(19)26(31)18-12-8-16(2)9-13-18/h3-14,26,29-31H,1-2H3
InChIKey UIZCOBHAYLYIBH-UHFFFAOYSA-N
Literature Reference Author A.M.L.SECA,S.B.LEAL,D.C.G.A.PINTO,M.C.BARRETO,A.M.S.SILVA
Literature Reference Citation MOLECULES,19,8317(2014)
Literature Reference DOI 10.3390/molecules19068317
Molecular Weight 438.480 g/mol
Solvent CDCl3
Source File Reference UWIR14806