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(3S,4S)-3-acetonyl-4-acetyl-3,8-dihydroxy-2,4-dihydro-1H-anthracene-9,10-dione
SpectraBase Compound ID 7OVxjWL5UBY
InChI InChI=1S/C19H18O6/c1-9(20)8-19(25)7-6-12-15(16(19)10(2)21)18(24)11-4-3-5-13(22)14(11)17(12)23/h3-5,16,22,25H,6-8H2,1-2H3/t16-,19-/m0/s1
InChIKey FQEAFZQUBZOXOS-LPHOPBHVSA-N
Mol Weight 342.35 g/mol
Molecular Formula C19H18O6
Exact Mass 342.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7mVv2K2HV4u
Name (3S,4S)-3-acetonyl-4-acetyl-3,8-dihydroxy-2,4-dihydro-1H-anthracene-9,10-dione
Alternate Name(s) (3S,4S)-3-acetonyl-4-acetyl-3,8-dihydroxy-2,4-dihydro-1H-anthracene-9,10-quinone (3S,4S)-4-acetyl-3,8-dihydroxy-3-(2-oxopropyl)-2,4-dihydro-1H-anthracene-9,10-dione (3S,4S)-4-ethanoyl-3,8-bis(oxidanyl)-3-(2-oxidanylidenepropyl)-2,4-dihydro-1H-anthracene-9,10-dione
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Formula C19H18O6
InChI InChI=1S/C19H18O6/c1-9(20)8-19(25)7-6-12-15(16(19)10(2)21)18(24)11-4-3-5-13(22)14(11)17(12)23/h3-5,16,22,25H,6-8H2,1-2H3/t16-,19-/m0/s1
InChIKey FQEAFZQUBZOXOS-LPHOPBHVSA-N
Molecular Weight 342.347 g/mol
SMILES Oc1cccc2c1C(C1=C([C@@]([C@](CC1)(CC(=O)C)O)(C(=O)C)[H])C2=O)=O
SPLASH splash10-0006-5090000000-3b678a322328233c4e21
Source of Spectrum K1-2000-1630-7
Wiley ID 750143