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SUBELLIPTENONE-C
SpectraBase Compound ID K9Ydsk5ElJ
InChI InChI=1S/C20H16O6/c1-4-20(2,3)11-8-12(21)19-13(15(11)23)14(22)10-7-9-5-6-25-17(9)16(24)18(10)26-19/h4-8,21,23-24H,1H2,2-3H3
InChIKey XLKLLCICISEKDT-UHFFFAOYSA-N
Mol Weight 352.34 g/mol
Molecular Formula C20H16O6
Exact Mass 352.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40ZrRdi4hM
Name Subelliptenone C (1,4,5-Trihydroxy-2-(1,1-dimethylallyl)furo[2,3-g]xanthr-9-one)
Alternate Name(s) 7-(1,1-dimethyl-2-propenyl)-6,9,11-trihydroxy-5H-furo[3,2-b]xanthen-5-one
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Formula C20H16O6
InChI InChI=1S/C20H16O6/c1-4-20(2,3)11-8-12(21)19-13(15(11)23)14(22)10-7-9-5-6-25-17(9)16(24)18(10)26-19/h4-8,21,23-24H,1H2,2-3H3
InChIKey XLKLLCICISEKDT-UHFFFAOYSA-N
Molecular Weight 352.342 g/mol
SMILES Oc1c2Oc3c(c4occc4cc3C(c2c(c(c1)C(C=C)(C)C)O)=O)O
SPLASH splash10-0f79-0009000000-26b9fee34c12372f1faa
Source of Spectrum H1-40-282-1
Wiley ID 756945