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4-(2,3-dihydroxy-3-methylbutyl)-2,2-di(phenyl)-6,7-dihydropyrano[6,5-e][1,3]benzodioxol-8-one
SpectraBase Compound ID KkZ8NtaYsMQ
InChI InChI=1S/C27H26O6/c1-26(2,30)21(28)16-18-15-17-13-14-22(29)31-23(17)25-24(18)32-27(33-25,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,21,28,30H,13-14,16H2,1-2H3
InChIKey IXOTZPNWTHLLPX-UHFFFAOYSA-N
Mol Weight 446.5 g/mol
Molecular Formula C27H26O6
Exact Mass 446.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWuIi0DVxLC
Name 4-(2,3-dihydroxy-3-methyl-butyl)-2,2-diphenyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-8-one
Alternate Name(s) 4-(2,3-dihydroxy-3-methylbutyl)-2,2-diphenyl-6,7-dihydro-[1,3]dioxolo[4,5-h][1]benzopyran-8-one 4-[3-methyl-2,3-bis(oxidanyl)butyl]-2,2-diphenyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-8-one
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Formula C27H26O6
InChI InChI=1S/C27H26O6/c1-26(2,30)21(28)16-18-15-17-13-14-22(29)31-23(17)25-24(18)32-27(33-25,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,15,21,28,30H,13-14,16H2,1-2H3
InChIKey IXOTZPNWTHLLPX-UHFFFAOYSA-N
Molecular Weight 446.499 g/mol
SMILES OC(C(Cc1c2OC(Oc2c2OC(=O)CCc2c1)(c1ccccc1)c1ccccc1)O)(C)C
SPLASH splash10-0aor-5900000000-b8fedce0b5692d426239
Source of Spectrum KC-0-3255-20
Wiley ID 782625