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(E)-.alpha.-(3,4-Methylenedioxybenzylidene)-.beta.-(3,4,5-trimethoxybenzyl)-gamma.-butyrolactone
SpectraBase Compound ID FE8ukBmfTw9
InChI InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)6-15-11-27-22(23)16(15)7-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7+
InChIKey YUMFRZDLFSZQIS-FRKPEAEDSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DxOXF3Joyb8
Name (E)-.alpha.-(3,4-Methylenedioxybenzylidene)-.beta.-(3,4,5-trimethoxybenzyl)-gamma.-butyrolactone
Alternate Name(s) (3E)-3-(1,3-benzodioxol-5-ylmethylene)-4-(3,4,5-trimethoxybenzyl)dihydro-2(3H)-furanone (E)-.alpha.-(3,4-Methylenedioxybenzylidene)-.beta.-(3,4,5-dtrmethoxybenzyl)-gamma.-butyrolactone
Comments Less than 3 mono-isotopic peaks
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Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)6-15-11-27-22(23)16(15)7-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7+
InChIKey YUMFRZDLFSZQIS-FRKPEAEDSA-N
Molecular Weight 398.411 g/mol
SMILES C1(\C(C(CO1)Cc1cc(OC)c(c(c1)OC)OC)=C\c1cc2OCOc2cc1)=O
SPLASH splash10-001i-0901000000-360713db1be8365c261c
Source of Spectrum AJ-69-2284-3
Wiley ID 773826