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(+/-)-HATOMARUBIGIN-B;(+/-)-11-HYDROXY-8-METHOXY-3-METHYL-3,4-DIHYDROBENZO-[A]-ANTHRACENE-1,7,12(2H)-TRIONE
SpectraBase Compound ID K3N5NZFmaLm
InChI InChI=1S/C20H16O5/c1-9-7-10-3-4-11-16(15(10)13(22)8-9)20(24)17-12(21)5-6-14(25-2)18(17)19(11)23/h3-6,9,21H,7-8H2,1-2H3/t9-/m0/s1
InChIKey IAWMODONDSIOEK-VIFPVBQESA-N
Mol Weight 336.34 g/mol
Molecular Formula C20H16O5
Exact Mass 336.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hc9w0s80mwu
Name (3S)-11-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Alternate Name(s) (3S)-11-hydroxy-8-methoxy-3-methyl-3,4-dihydro-2H-benz[a]anthracene-1,7,12-trione (3S)-8-methoxy-3-methyl-11-oxidanyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione Hatomarubigin B
Comments Less than 3 mono-isotopic peaks
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Formula C20H16O5
InChI InChI=1S/C20H16O5/c1-9-7-10-3-4-11-16(15(10)13(22)8-9)20(24)17-12(21)5-6-14(25-2)18(17)19(11)23/h3-6,9,21H,7-8H2,1-2H3/t9-/m0/s1
InChIKey IAWMODONDSIOEK-VIFPVBQESA-N
Molecular Weight 336.343 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)c2C(C[C@](Cc2cc3)(C)[H])=O)c(OC)cc1
SPLASH splash10-000l-0049000000-0834844fb6eb55ca3fa1
Source of Spectrum JA-50-301-0
Wiley ID 1332479