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5-Hydroxy-1-methoxy-2-[ 6'-methyl-4'-oxotetrahydro-2' H-pyran-2'-yl]anthraquinone
SpectraBase Compound ID J4bvybBHFDJ
InChI InChI=1S/C21H18O6/c1-10-8-11(22)9-16(27-10)12-6-7-14-18(21(12)26-2)20(25)13-4-3-5-15(23)17(13)19(14)24/h3-7,10,16,23H,8-9H2,1-2H3
InChIKey UMQHROYPZUORDP-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C21H18O6
Exact Mass 366.110338 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2andHEc1tR8
Name 5-Hydroxy-1-methoxy-2-[ 6'-methyl-4'-oxotetrahydro-2' H-pyran-2'-yl]anthraquinone
Comments Computed using HOSE algorithm
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Exact Mass 366.110338294 u
Formula C21H18O6
InChI InChI=1S/C21H18O6/c1-10-8-11(22)9-16(27-10)12-6-7-14-18(21(12)26-2)20(25)13-4-3-5-15(23)17(13)19(14)24/h3-7,10,16,23H,8-9H2,1-2H3
InChIKey UMQHROYPZUORDP-UHFFFAOYSA-N
Molecular Weight 366.369 g/mol
SMILES C1=2C(C3=CC=CC(=C3C(C2C=CC(=C1OC)C1OC(CC(C1)=O)C)=O)O)=O