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(E)-4-[1,5-dihydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxo-2-anthracenyl]-3-methoxy-2-butenoic acid methyl ester
SpectraBase Compound ID 5IfjD8B09qW
InChI InChI=1S/C29H30O11/c1-29(39-7-8-40-29)14-16(30)6-5-15-9-20-25(26(33)19(15)10-18(37-3)13-23(32)38-4)28(35)21-11-17(36-2)12-22(31)24(21)27(20)34/h9,11-13,31,33H,5-8,10,14H2,1-4H3/b18-13+
InChIKey LIPOZEOJCWLAFC-QGOAFFKASA-N
Mol Weight 554.55 g/mol
Molecular Formula C29H30O11
Exact Mass 554.178812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1W2ZBCdEaEz
Name (E)-4-[1,5-dihydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxo-2-anthracenyl]-3-methoxy-2-butenoic acid methyl ester
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Formula C29H30O11
InChI InChI=1S/C29H30O11/c1-29(39-7-8-40-29)14-16(30)6-5-15-9-20-25(26(33)19(15)10-18(37-3)13-23(32)38-4)28(35)21-11-17(36-2)12-22(31)24(21)27(20)34/h9,11-13,31,33H,5-8,10,14H2,1-4H3/b18-13+
InChIKey LIPOZEOJCWLAFC-QGOAFFKASA-N
Molecular Weight 554.548 g/mol
SMILES Oc1c2c(C(c3c(cc(cc3C2=O)OC)O)=O)cc(c1C\C(=C/C(=O)OC)OC)CCC(CC1(OCCO1)C)=O
SPLASH splash10-000i-9000000000-b1743c5250bed292790a
Source of Spectrum J-65-3222-10
Synonyms (E)-4-[1,5-dihydroxy-9,10-diketo-3-[3-keto-4-(2-methyl-1,3-dioxolan-2-yl)butyl]-7-methoxy-2-anthryl]-3-methoxy-but-2-enoic acid methyl ester Methyl (E)-3-methoxy-4-[7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxidanylidene-butyl]-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]but-2-enoate Methyl (E)-4-[1,5-dihydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxo-butyl]-9,10-dioxo-2-anthryl]-3-methoxy-but-2-enoate Methyl (E)-4-[1,5-dihydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]-9,10-dioxoanthracen-2-yl]-3-methoxybut-2-enoate
Wiley ID 1532628