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PILOQUINONE
SpectraBase Compound ID 2pnsH3JA6Hm
InChI InChI=1S/C21H20O5/c1-10(2)7-8-15(22)13-9-14-12-5-4-6-16(23)17(12)20(25)21(26)18(14)19(24)11(13)3/h4-6,9-10,23-24H,7-8H2,1-3H3
InChIKey UJTRABFYSZAGLW-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BBROID6vni
Name 9,10-Phenanthrenedione, 1,8-dihydroxy-2-methyl-3-(4-methyl-1-oxopentyl)-
CAS Registry Number 25414-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-10(2)7-8-15(22)13-9-14-12-5-4-6-16(23)17(12)20(25)21(26)18(14)19(24)11(13)3/h4-6,9-10,23-24H,7-8H2,1-3H3
InChIKey UJTRABFYSZAGLW-UHFFFAOYSA-N
Molecular Weight 352.386 g/mol
SMILES Oc1c(c(cc2-c3cccc(c3C(C(c12)=O)=O)O)C(CCC(C)C)=O)C
SPLASH splash10-0ue9-0193000000-8b47ab737b09ca53c859
Source of Spectrum W5-31013-0-0
Synonyms 1,8-Dihydroxy-2-methyl-3-(4-methylpentanoyl)-9,10-phenanthrenedione 1,8-Dihydroxy-2-methyl-3-(4-methyl-1-oxopentyl)phenanthrene-9,10-dione 1,8-Dihydroxy-2-methyl-3-(4-methylpentanoyl)phenanthrene-9,10-dione 1,8-Dihydroxy-2-methyl-3-(4-methylpentanoyl)phenanthrene-9,10-quinone 2-Methyl-3-(4-methylpentanoyl)-1,8-bis(oxidanyl)phenanthrene-9,10-dione
Wiley ID 1343356