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2-(3-acetoacetyl-4-hydroxy-9,10-diketo-5,7-dimethoxy-2-anthryl)acetic acid tert-butyl ester
SpectraBase Compound ID LHKdaNEbrPs
InChI InChI=1S/C26H26O9/c1-12(27)7-17(28)20-13(9-19(29)35-26(2,3)4)8-15-22(24(20)31)25(32)21-16(23(15)30)10-14(33-5)11-18(21)34-6/h8,10-11,31H,7,9H2,1-6H3
InChIKey SHAWFPIPRRPBHY-UHFFFAOYSA-N
Mol Weight 482.49 g/mol
Molecular Formula C26H26O9
Exact Mass 482.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQSJbg9f0mG
Name 2-(3-acetoacetyl-4-hydroxy-9,10-diketo-5,7-dimethoxy-2-anthryl)acetic acid tert-butyl ester
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Formula C26H26O9
InChI InChI=1S/C26H26O9/c1-12(27)7-17(28)20-13(9-19(29)35-26(2,3)4)8-15-22(24(20)31)25(32)21-16(23(15)30)10-14(33-5)11-18(21)34-6/h8,10-11,31H,7,9H2,1-6H3
InChIKey SHAWFPIPRRPBHY-UHFFFAOYSA-N
Molecular Weight 482.485 g/mol
SMILES Oc1c2C(c3c(cc(cc3C(c2cc(c1C(CC(=O)C)=O)CC(OC(C)(C)C)=O)=O)OC)OC)=O
SPLASH splash10-0a4i-9001400000-3e0d658cbe3894492bd7
Source of Spectrum K1-2004-218-20
Synonyms t-Butyl [3'-(3''-oxobutyryl)-4'-hydroxy-5',7'-dimethoxy-9',10'-dioxo-9',10'-dihydroanthacen-2'-yl]-acetate 2-[3-(1,3-dioxobutyl)-4-hydroxy-5,7-dimethoxy-9,10-dioxo-2-anthracenyl]acetic acid tert-butyl ester tert-Butyl 2-[4-hydroxy-5,7-dimethoxy-9,10-dioxo-3-(3-oxobutanoyl)-2-anthryl]acetate tert-Butyl 2-[4-hydroxy-5,7-dimethoxy-9,10-dioxo-3-(3-oxobutanoyl)anthracen-2-yl]acetate tert-Butyl 2-[5,7-dimethoxy-4-oxidanyl-9,10-bis(oxidanylidene)-3-(3-oxidanylidenebutanoyl)anthracen-2-yl]ethanoate
Wiley ID 1559995