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(+/-)-OXYMITRONE
SpectraBase Compound ID JrRX3cplbUo
InChI InChI=1S/C23H20O6/c1-28-23-14-18(25)20(17(24)12-11-15-7-3-2-4-8-15)21(26)22(23,27)13-16-9-5-6-10-19(16)29-23/h2-12,24,27H,13-14H2,1H3/b12-11+,20-17-/t22-,23-/m1/s1
InChIKey ISCSKUFWOOOPOR-DVZJRMSASA-N
Mol Weight 392.41 g/mol
Molecular Formula C23H20O6
Exact Mass 392.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BRRGf2BozkG
Name Oxymitrone
Alternate Name(s) (2Z,4aR,9aR)-9a-hydroxy-2-[(E)-1-hydroxy-3-phenylprop-2-enylidene]-4a-methoxy-4,9-dihydroxanthene-1,3-dione (2Z,4aR,9aR)-9a-hydroxy-2-[(E)-1-hydroxy-3-phenyl-prop-2-enylidene]-4a-methoxy-4,9-dihydroxanthene-1,3-dione (2Z,4aR,9aR)-4a-methoxy-9a-oxidanyl-2-[(E)-1-oxidanyl-3-phenyl-prop-2-enylidene]-4,9-dihydroxanthene-1,3-dione
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Formula C23H20O6
InChI InChI=1S/C23H20O6/c1-28-23-14-18(25)20(17(24)12-11-15-7-3-2-4-8-15)21(26)22(23,27)13-16-9-5-6-10-19(16)29-23/h2-12,24,27H,13-14H2,1H3/b12-11+,20-17-/t22-,23-/m1/s1
InChIKey ISCSKUFWOOOPOR-DVZJRMSASA-N
Molecular Weight 392.407 g/mol
SMILES O\C(=C\1C(C[C@@]2([C@](C1=O)(Cc1c(O2)cccc1)O)OC)=O)\C=C\c1ccccc1
SPLASH splash10-0kal-0975000000-1f5fbfd5ca4c269a0ca2
Source of Spectrum X2-53-297-1
Wiley ID 1603436