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Methylchasnarolide - acetate
SpectraBase Compound ID 8Ajr1gwUv2M
InChI InChI=1S/C23H22O8/c1-13(24)31-22(15-5-7-19-21(10-15)30-12-29-19)17-11-28-23(25)16(17)8-14-4-6-18(26-2)20(9-14)27-3/h4-7,9-10,22H,8,11-12H2,1-3H3
InChIKey DBJNRTJTZVYOFR-UHFFFAOYSA-N
Mol Weight 426.42 g/mol
Molecular Formula C23H22O8
Exact Mass 426.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKv1ntPnUyg
Name Methylchasnarolide - acetate
Alternate Name(s) 2-[(3',4'-Dimethoxyphenyl)methyl]-3-[(3'',4''-dioxymethylenephenyl)methyl]-2,3-dehydro-6-acetoxy-.gamma.-butyrolactone
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Formula C23H22O8
InChI InChI=1S/C23H22O8/c1-13(24)31-22(15-5-7-19-21(10-15)30-12-29-19)17-11-28-23(25)16(17)8-14-4-6-18(26-2)20(9-14)27-3/h4-7,9-10,22H,8,11-12H2,1-3H3
InChIKey DBJNRTJTZVYOFR-UHFFFAOYSA-N
Molecular Weight 426.421 g/mol
SMILES C1(=C(C(=O)OC1)Cc1cc(OC)c(cc1)OC)C(c1cc2OCOc2cc1)OC(=O)C
SPLASH splash10-0gdi-0509400000-659898020a04dafe47fb
Source of Spectrum X2-56-1180-2
Wiley ID 1604991