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TRANS-(+/-)-ISOKIELCORIN-B
SpectraBase Compound ID 9hKny6Bif90
InChI InChI=1S/C24H20O8/c1-28-17-9-12(7-8-15(17)26)21-19(11-25)32-23-18(31-21)10-14-20(27)13-5-3-4-6-16(13)30-22(14)24(23)29-2/h3-10,19,21,25-26H,11H2,1-2H3/t19-,21-/m1/s1
InChIKey SHRLSEWCBYTLJH-TZIWHRDSSA-N
Mol Weight 436.42 g/mol
Molecular Formula C24H20O8
Exact Mass 436.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XVnhKGJHDG
Name (2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-b]xanthen-11-one
Alternate Name(s) (2R,3R)-2-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-3-methylol-2,3-dihydro-[1,4]dioxino[2,3-b]xanthen-11-one (2R,3R)-3-(hydroxymethyl)-5-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydro-[1,4]dioxino[2,3-b]xanthen-11-one
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Formula C24H20O8
InChI InChI=1S/C24H20O8/c1-28-17-9-12(7-8-15(17)26)21-19(11-25)32-23-18(31-21)10-14-20(27)13-5-3-4-6-16(13)30-22(14)24(23)29-2/h3-10,19,21,25-26H,11H2,1-2H3/t19-,21-/m1/s1
InChIKey SHRLSEWCBYTLJH-TZIWHRDSSA-N
Molecular Weight 436.416 g/mol
SMILES OC[C@]1(Oc2c(O[C@@]1(c1ccc(c(c1)OC)O)[H])cc1c(c2OC)Oc2c(C1=O)cccc2)[H]
SPLASH splash10-0019-1920400000-338ffcdcdbfbb023bf21
Source of Spectrum H1-51-827-2
Wiley ID 817186