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7-METHOXY-4-HYDROXY-2,3,4,4A-TETRAHYDRO-1H-XANTHEN-1-ONE;TRANS-ISOMER

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7-METHOXY-4-HYDROXY-2,3,4,4A-TETRAHYDRO-1H-XANTHEN-1-ONE;TRANS-ISOMER
SpectraBase Compound ID BRcC5A06su1
InChI InChI=1S/C14H14O4/c1-17-9-2-5-13-8(6-9)7-10-11(15)3-4-12(16)14(10)18-13/h2,5-7,12,14,16H,3-4H2,1H3/t12-,14+/m0/s1
InChIKey BLQZQCDLPFQVJM-GXTWGEPZSA-N
Mol Weight 246.26 g/mol
Molecular Formula C14H14O4
Exact Mass 246.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Cu1fn47jyq
Name (4R*,4A-S*)-4-HYDROXY-7-METHOXY-1,2,3,4-TETRAHYDROXANTHEN-1-ONE
Compound Number 16G-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14O4
InChI InChI=1S/C14H14O4/c1-17-9-2-5-13-8(6-9)7-10-11(15)3-4-12(16)14(10)18-13/h2,5-7,12,14,16H,3-4H2,1H3/t12-,14+/m0/s1
InChIKey BLQZQCDLPFQVJM-GXTWGEPZSA-N
Literature Reference Author U.K.OHNEMUELLER,C.F.NISING,M.NIEGER,S.BRAESE
Literature Reference Citation EUR.J.ORG.CHEM.,1535(2006)
Molecular Weight 246.263 g/mol
Sample ID 32027
Solvent CDCl3