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ARDISINONE-A;11-(2-ACETOXY-6-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)-UNDECAN-1-ONE
SpectraBase Compound ID JKvOBv7RLYu
InChI InChI=1S/C25H32O7/c1-17(26)32-24-14-10-13-20(28)19(24)11-8-6-4-2-3-5-7-9-12-21(29)25-22(30)15-18(27)16-23(25)31/h10,13-16,27-28,30-31H,2-9,11-12H2,1H3
InChIKey QNGAJXWLOOFLKM-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1n6vtf8Gw4
Name 11-(2-acetoxy-6-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-undecan-1-one
Alternate Name(s) Ardisinone A
Appearance Pale yellow needles
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Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-17(26)32-24-14-10-13-20(28)19(24)11-8-6-4-2-3-5-7-9-12-21(29)25-22(30)15-18(27)16-23(25)31/h10,13-16,27-28,30-31H,2-9,11-12H2,1H3
InChIKey QNGAJXWLOOFLKM-UHFFFAOYSA-N
Instrument Name VG7070E
Ionization Type EI
Literature Reference DOI 10.1021/np040041z
Molecular Weight 444.524 g/mol
Reported Formula C25H32O7
SMILES Oc1cccc(c1CCCCCCCCCCC(c1c(cc(cc1O)O)O)=O)OC(C)=O
SPLASH splash10-0uk9-2910000000-0cbcea6e219adb5ea7e1
Source of Spectrum G4-67-1619-1
Thin-Layer Chromatography Rf = 0.35 (petroleum ether/Me2CO, 3:1)
Wiley ID 1881890