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(2S,3S)-3-(4-Hydroxy-3,5-dimethoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-1,4,5-trioxa-phenanthren-6-one
SpectraBase Compound ID 5mHL3S1TAcL
InChI InChI=1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)26-12-5-3-10-4-6-16(22)27-19(10)20(12)28-18/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m0/s1
InChIKey FCWOSPBWIBSFOO-YJBOKZPZSA-N
Mol Weight 386.36 g/mol
Molecular Formula C20H18O8
Exact Mass 386.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BimNND1TOLq
Name (2S,3S)-3-(4-Hydroxy-3,5-dimethoxy-phenyl)-2-hydroxymethyl-2,3-dihydro-1,4,5-trioxa-phenanthren-6-one
Alternate Name(s) Daphneticin (2S,3S)-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one (2S,3S)-2-(4-hydroxy-3,5-dimethoxy-phenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one (2S,3S)-2-(3,5-dimethoxy-4-oxidanyl-phenyl)-3-(hydroxymethyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
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Formula C20H18O8
InChI InChI=1S/C20H18O8/c1-24-13-7-11(8-14(25-2)17(13)23)18-15(9-21)26-12-5-3-10-4-6-16(22)27-19(10)20(12)28-18/h3-8,15,18,21,23H,9H2,1-2H3/t15-,18-/m0/s1
InChIKey FCWOSPBWIBSFOO-YJBOKZPZSA-N
Molecular Weight 386.356 g/mol
SMILES Oc1c(cc([C@@]2(Oc3c(O[C@]2(CO)[H])ccc2C=CC(Oc32)=O)[H])cc1OC)OC
SPLASH splash10-014i-0429000000-866298ae676a8c520c1f
Source of Spectrum E1-34-631-1
Wiley ID 1710347