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9-Desmethyl-ventiloquinone - E
SpectraBase Compound ID 74yN4OoOb6f
InChI InChI=1S/C17H18O6/c1-7-5-9-12(8(2)23-7)16(20)13-10(18)6-11(21-3)17(22-4)14(13)15(9)19/h6-8,18H,5H2,1-4H3/t7-,8+/m0/s1
InChIKey IPGJOXYGZYCCCK-JGVFFNPUSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Koe1KsV5Hjg
Name 9-Desmethyl-ventiloquinone - E
Alternate Name(s) (1R,3S)-6,7-Dimethoxy-9-hydroxy-1,3-dimethyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-5,10-dione (1R,3S)-9-hydroxy-6,7-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione (1R,3S)-9-hydroxy-6,7-dimethoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g][2]benzopyran-5,10-dione (1R,3S)-6,7-dimethoxy-1,3-dimethyl-9-oxidanyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
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Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-7-5-9-12(8(2)23-7)16(20)13-10(18)6-11(21-3)17(22-4)14(13)15(9)19/h6-8,18H,5H2,1-4H3/t7-,8+/m0/s1
InChIKey IPGJOXYGZYCCCK-JGVFFNPUSA-N
Molecular Weight 318.325 g/mol
SMILES Oc1c2C(C3=C(C(=O)c2c(OC)c(c1)OC)C[C@@](O[C@@]3(C)[H])(C)[H])=O
SPLASH splash10-014i-9031000000-d75ea89fef601ef475ac
Source of Spectrum F5-4-3317-4
Wiley ID 1732975