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(S)-2,3-Dihydro-3-(4'-hydroxy-3'-methylphenyl)-2-(hydroxymethyl)-11H-1,4-dioxino[2,3-b]xanthen-11-one
SpectraBase Compound ID DJuly8rUxmA
InChI InChI=1S/C23H18O7/c1-27-18-10-12(6-8-15(18)25)21-19(11-24)30-23-17(29-21)9-7-14-20(26)13-4-2-3-5-16(13)28-22(14)23/h2-10,19,21,24-25H,11H2,1H3/t19-,21?/m0/s1
InChIKey NPNAAJZAXIAJHN-ZQRQZVKFSA-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 Jwudkf9zN3w
Name (S)-2,3-Dihydro-3-(4'-hydroxy-3'-methylphenyl)-2-(hydroxymethyl)-11H-1,4-dioxino[2,3-b]xanthen-11-one
Alternate Name(s) (2S)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-7H-[1,4]dioxino[2,3-c]xanthen-7-one (2S*)-2,3-Dihydro-3-(4'-hydroxy-3'-methylphenyl)-2-(hydroxymethyl)-7H-1,4-dioxino[2,3-c]xanthen-7-one (trans)-kielcorin C
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Formula C23H18O7
InChI InChI=1S/C23H18O7/c1-27-18-10-12(6-8-15(18)25)21-19(11-24)30-23-17(29-21)9-7-14-20(26)13-4-2-3-5-16(13)28-22(14)23/h2-10,19,21,24-25H,11H2,1H3/t19-,21?/m0/s1
InChIKey NPNAAJZAXIAJHN-ZQRQZVKFSA-N
Molecular Weight 406.390 g/mol
SMILES OC[C@@]1(Oc2c(OC1c1ccc(c(c1)OC)O)ccc1c2Oc2c(C1=O)cccc2)[H]
SPLASH splash10-053r-2294000000-60e46016d255e29c4891
Source of Spectrum H-85-2872-7
Wiley ID 1524842