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4,6,8-trihydroxy-3-(3-ketobutyl)-2,3-dihydronaphtho[2,3-f]benzofuran-5,10-quinone
SpectraBase Compound ID 3nB2w5b709T
InChI InChI=1S/C20H16O7/c1-8(21)2-3-9-7-27-14-6-12-17(19(25)15(9)14)20(26)16-11(18(12)24)4-10(22)5-13(16)23/h4-6,9,22-23,25H,2-3,7H2,1H3
InChIKey XDLBESHDJXFECS-UHFFFAOYSA-N
Mol Weight 368.34 g/mol
Molecular Formula C20H16O7
Exact Mass 368.089603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45yaGqoEBhk
Name 4,6,8-trihydroxy-3-(3-ketobutyl)-2,3-dihydronaphtho[2,3-f]benzofuran-5,10-quinone
Alternate Name(s) 4,6,8-trihydroxy-3-(3-oxobutyl)-2,3-dihydroanthra[2,3-b]furan-5,10-dione 4,6,8-trihydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f]benzofuran-5,10-dione 4,6,8-trihydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione 4,6,8-tris(oxidanyl)-3-(3-oxidanylidenebutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione
CAS Registry Number 84062-31-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O7
InChI InChI=1S/C20H16O7/c1-8(21)2-3-9-7-27-14-6-12-17(19(25)15(9)14)20(26)16-11(18(12)24)4-10(22)5-13(16)23/h4-6,9,22-23,25H,2-3,7H2,1H3
InChIKey XDLBESHDJXFECS-UHFFFAOYSA-N
Molecular Weight 368.341 g/mol
SMILES Oc1c2c(cc3c1C(c1c(cc(cc1C3=O)O)O)=O)OCC2CCC(=O)C
SPLASH splash10-03di-0019000000-589b87c0105956098d69
Source of Spectrum J-53-2477-0
Wiley ID 1352958