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3-Acetyl-3,6,8-trihydroxy-2,4-dihydro-1H-benzo[a]anthracene-7,12-dione
SpectraBase Compound ID JxntXUmRHcj
InChI InChI=1S/C20H16O6/c1-9(21)20(26)6-5-11-10(8-20)7-14(23)17-16(11)18(24)12-3-2-4-13(22)15(12)19(17)25/h2-4,7,22-23,26H,5-6,8H2,1H3
InChIKey VYUBHAZQGBMFJI-UHFFFAOYSA-N
Mol Weight 352.34 g/mol
Molecular Formula C20H16O6
Exact Mass 352.094688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44MeIazlPU
Name 3-Acetyl-3,6,8-trihydroxy-2,4-dihydro-1H-benzo[a]anthracene-7,12-dione
Alternate Name(s) 3-Acetyl-3,6,8-trihydroxy-2,4-dihydro-1H-benz[a]anthracene-7,12-quinone 3-Ethanoyl-3,6,8-tris(oxidanyl)-2,4-dihydro-1H-benzo[a]anthracene-7,12-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16O6
InChI InChI=1S/C20H16O6/c1-9(21)20(26)6-5-11-10(8-20)7-14(23)17-16(11)18(24)12-3-2-4-13(22)15(12)19(17)25/h2-4,7,22-23,26H,5-6,8H2,1H3
InChIKey VYUBHAZQGBMFJI-UHFFFAOYSA-N
Molecular Weight 352.342 g/mol
SMILES Oc1c2C(c3c(c4c(cc3O)CC(CC4)(O)C(=O)C)C(c2ccc1)=O)=O
SPLASH splash10-0006-0095000000-5eacec21e1842e44cb2d
Source of Spectrum U-1993-913-12
Wiley ID 765234