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(2R,3S)-2-[1,1-(ethylenedioxy)ethyl]-2,5,12-trihydroxy-3-fluoro-1,2,3,4-tetrahydro-naphthacene-6,11-dione
SpectraBase Compound ID KXokeh0IyCG
InChI InChI=1S/C22H19FO7/c1-21(29-6-7-30-21)22(28)9-13-12(8-14(22)23)19(26)15-16(20(13)27)18(25)11-5-3-2-4-10(11)17(15)24/h2-5,14,26-28H,6-9H2,1H3/t14-,22-/m0/s1
InChIKey QTJPYBVFTYAJBV-FPTDNZKUSA-N
Mol Weight 414.39 g/mol
Molecular Formula C22H19FO7
Exact Mass 414.111481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86uN8AbA8VX
Name (2R,3S)-2-[1,1-(ethylenedioxy)ethyl]-2,5,12-trihydroxy-3-fluoro-1,2,3,4-tetrahydro-naphthacene-6,11-dione
Alternate Name(s) (8R,9S)-9-fluoro-6,8,11-trihydroxy-8-(2-methyl-1,3-dioxolan-2-yl)-7,8,9,10-tetrahydro-5,12-naphthacenedione 2-[1,1-(ethylenedioxy)ethyl]-2,5,12-trihydroxy-3-fluoronaphthacene-6,11-dione
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Formula C22H19FO7
InChI InChI=1S/C22H19FO7/c1-21(29-6-7-30-21)22(28)9-13-12(8-14(22)23)19(26)15-16(20(13)27)18(25)11-5-3-2-4-10(11)17(15)24/h2-5,14,26-28H,6-9H2,1H3/t14-,22-/m0/s1
InChIKey QTJPYBVFTYAJBV-FPTDNZKUSA-N
Molecular Weight 414.385 g/mol
SMILES Oc1c2c(c(c3c1C(c1c(C3=O)cccc1)=O)O)C[C@@]([C@@](C2)(C1(OCCO1)C)O)(F)[H]
SPLASH splash10-000i-9001000000-98e61fa350e6be983eff
Source of Spectrum F-52-193-10
Wiley ID 794615