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3,4,4'-Trimethoxy-.alpha.(S),2'-dihydroxy-.beta.(S)-benzylsulfanyldihydrochalcone
SpectraBase Compound ID L59LSaRwUK
InChI InChI=1S/C25H26O6S/c1-29-18-10-11-19(20(26)14-18)23(27)24(28)25(32-15-16-7-5-4-6-8-16)17-9-12-21(30-2)22(13-17)31-3/h4-14,24-26,28H,15H2,1-3H3/t24-,25-/m0/s1
InChIKey IFDYQOVENRWCJQ-DQEYMECFSA-N
Mol Weight 454.54 g/mol
Molecular Formula C25H26O6S
Exact Mass 454.14501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZjEYwikovz
Name 3,4,4'-Trimethoxy-.alpha.(S),2'-dihydroxy-.beta.(S)-benzylsulfanyldihydrochalcone
Alternate Name(s) (2S,3S)-3-(benzylsulfanyl)-3-(3,4-dimethoxyphenyl)-2-hydroxy-1-(2-hydroxy-4-methoxyphenyl)-1-propanone 3,4,4'-Trimethoxy-.alpha.,2'-dihydroxy-.beta.-benzylsulfanyldihydrochalcone
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Formula C25H26O6S
InChI InChI=1S/C25H26O6S/c1-29-18-10-11-19(20(26)14-18)23(27)24(28)25(32-15-16-7-5-4-6-8-16)17-9-12-21(30-2)22(13-17)31-3/h4-14,24-26,28H,15H2,1-3H3/t24-,25-/m0/s1
InChIKey IFDYQOVENRWCJQ-DQEYMECFSA-N
Molecular Weight 454.537 g/mol
SMILES Oc1c(C([C@@]([C@](c2cc(OC)c(cc2)OC)(SCc2ccccc2)[H])(O)[H])=O)ccc(c1)OC
SPLASH splash10-0udi-0924000000-9d2a6dcc9710b01d81d7
Source of Spectrum F-53-14147-13
Wiley ID 804052