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(Z)- 6-[.beta.-(3,5-Dihydroxyphenyl)ethenyl]-2-(3',4'-dihydroxyphenyl)-3-(3",5"-dihydroxyphenyl)-benzodioxane
SpectraBase Compound ID 7Rmvk8UWTSd
InChI InChI=1S/C28H22O8/c29-19-7-16(8-20(30)13-19)2-1-15-3-6-25-26(9-15)36-28(18-10-21(31)14-22(32)11-18)27(35-25)17-4-5-23(33)24(34)12-17/h1-14,27-34H/b2-1-
InChIKey NKUZVJOKTLLGKC-UPHRSURJSA-N
Mol Weight 486.48 g/mol
Molecular Formula C28H22O8
Exact Mass 486.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 83Vu2LyOqc5
Name (Z)- 6-[.beta.-(3,5-Dihydroxyphenyl)ethenyl]-2-(3',4'-dihydroxyphenyl)-3-(3",5"-dihydroxyphenyl)-benzodioxane
Alternate Name(s) Maackin-cis
Comments Less than 3 mono-isotopic peaks
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Formula C28H22O8
InChI InChI=1S/C28H22O8/c29-19-7-16(8-20(30)13-19)2-1-15-3-6-25-26(9-15)36-28(18-10-21(31)14-22(32)11-18)27(35-25)17-4-5-23(33)24(34)12-17/h1-14,27-34H/b2-1-
InChIKey NKUZVJOKTLLGKC-UPHRSURJSA-N
Molecular Weight 486.476 g/mol
SMILES Oc1cc(C2Oc3c(OC2c2cc(cc(c2)O)O)cc(cc3)\C=C/c2cc(O)cc(c2)O)ccc1O
SPLASH splash10-0006-0290000000-b0140e515a684738feaf
Source of Spectrum X3-35-579-4
Wiley ID 1691752