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trans-kielcorin E

View entire compound with spectra: 1 MS (GC)

trans-kielcorin E
SpectraBase Compound ID 4L5NEx2Lip6
InChI InChI=1S/C23H18O7/c1-27-18-8-12(6-7-15(18)25)23-21(11-24)29-19-9-14-17(10-20(19)30-23)28-16-5-3-2-4-13(16)22(14)26/h2-10,21,23-25H,11H2,1H3/t21-,23?/m1/s1
InChIKey OWEWTAVRXOPIBG-FKHAVUOCSA-N
Mol Weight 406.39 g/mol
Molecular Formula C23H18O7
Exact Mass 406.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55MqpAi7Z3G
Name trans-kielcorin E
Alternate Name(s) (2R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-11H-[1,4]dioxino[2,3-b]xanthen-11-one (2R*)-2,3-Dihydro-3-(4'-hydroxy-3'-methoxyphenyl)-2-(hydroxymethyl)-11H-1,4-dioxino[2,3-b]xanthen-11-one
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Formula C23H18O7
InChI InChI=1S/C23H18O7/c1-27-18-8-12(6-7-15(18)25)23-21(11-24)29-19-9-14-17(10-20(19)30-23)28-16-5-3-2-4-13(16)22(14)26/h2-10,21,23-25H,11H2,1H3/t21-,23?/m1/s1
InChIKey OWEWTAVRXOPIBG-FKHAVUOCSA-N
Molecular Weight 406.390 g/mol
SMILES Oc1c(cc(C2Oc3c(O[C@@]2(CO)[H])cc2c(c3)Oc3ccccc3C2=O)cc1)OC
SPLASH splash10-0udl-6900000000-02fb01ebb4cba301ab03
Source of Spectrum H-85-2873-11
Wiley ID 1524512