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BETA,BETA-DIMETHYLACRYLOYL-ALKANNIN

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BETA,BETA-DIMETHYLACRYLOYL-ALKANNIN
SpectraBase Compound ID IRaA4slFe7F
InChI InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1
InChIKey BATBOVZTQBLKIL-KRWDZBQOSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrerT1HQj10
Name Alkannin senecioate
Alternate Name(s) (1S)-1-(5,8-dihydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-methyl-3-pentenyl 3-methyl-2-butenoate 3-Methyl-2-butenoic acid[(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methylpent-3-enyl]ester 3-Methylbut-2-enoic acid[(1S)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl]ester [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl]3-methylbut-2-enoate [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl]3-methylbut-2-enoate [(1S)-1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl]3-methylbut-2-enoate 3-Methyl-2-butenoic acid [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methylpent-3-enyl] ester [(1S)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate [(1S)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate [(1S)-1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-pent-3-enyl] 3-methylbut-2-enoate
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Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m0/s1
InChIKey BATBOVZTQBLKIL-KRWDZBQOSA-N
Molecular Weight 370.401 g/mol
SMILES Oc1c2C(C=C(C(c2c(cc1)O)=O)[C@@](OC(C=C(C)C)=O)(CC=C(C)C)[H])=O
SPLASH splash10-001i-9140000000-0061a162b9efe7771ab2
Source of Spectrum CD-556-0-0
Wiley ID 1354313