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(2S,3R)-alpha.-(3,4,-Methylenedioxybenzyl)-.beta.-(3,4-dimethoxybenzyl)-.gamma.-butyrolactone
SpectraBase Compound ID 8Ni2HAPpJaI
InChI InChI=1S/C21H22O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKey LEVKKQBBEVGIKN-HOTGVXAUSA-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 2UWes8FoF8H
Name (2S,3R)-alpha.-(3,4,-Methylenedioxybenzyl)-.beta.-(3,4-dimethoxybenzyl)-.gamma.-butyrolactone
Alternate Name(s) (3R*,4R*)-3-[3,4-(Methylenedioxy)benzyl]-4-(3,4-dimethoxybenzyl)-.gamma.-butyrolactone (3S,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxybenzyl)dihydro-2(3H)-furanone (4R,5R)-4-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethoxybenzyl)dihydro-2(3H)-furanone cis-.alpha.-(3,4,-Methylenedioxybenzyl)-.beta.-(3,4-dimethoxybenzyl)-.gamma.-butyrolactone
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Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-23-17-5-3-13(9-19(17)24-2)7-15-11-25-21(22)16(15)8-14-4-6-18-20(10-14)27-12-26-18/h3-6,9-10,15-16H,7-8,11-12H2,1-2H3/t15-,16-/m0/s1
InChIKey LEVKKQBBEVGIKN-HOTGVXAUSA-N
Molecular Weight 370.401 g/mol
SMILES C1([C@]([C@@](Cc2cc(c(OC)cc2)OC)(CO1)[H])(Cc1cc2OCOc2cc1)[H])=O
SPLASH splash10-0fe0-0903000000-97ab7467dc382b78c41d
Source of Spectrum J-61-6927-1
Wiley ID 1354341