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(3-S)-2-METHYLENE-3-[(5'-METHOXY-3',4'-METHYLENEDIOXYPHENYL)-(4''-HYDROXY-3'',5''-DIMETHOXYPHENYL)-METHYL]-BUTYROLACTONE
SpectraBase Compound ID 6kGCqhH4O4q
InChI InChI=1S/C22H22O8/c1-11-14(9-28-22(11)24)19(12-5-15(25-2)20(23)16(6-12)26-3)13-7-17(27-4)21-18(8-13)29-10-30-21/h5-8,14,19,23H,1,9-10H2,2-4H3/t14-,19?/m1/s1
InChIKey UGKOGWUDRSXQOZ-MJTSIZKDSA-N
Mol Weight 414.41 g/mol
Molecular Formula C22H22O8
Exact Mass 414.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GH7doL8FVpX
Name (3S)-2-Methylene-3-[(5'-methoxy-3',4'-methylenedioxyphenyl)(4"-hydroxy-3",5"-dimethoxyphenyl)methyl]-butyrolactone
Comments Less than 3 mono-isotopic peaks
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Formula C22H22O8
InChI InChI=1S/C22H22O8/c1-11-14(9-28-22(11)24)19(12-5-15(25-2)20(23)16(6-12)26-3)13-7-17(27-4)21-18(8-13)29-10-30-21/h5-8,14,19,23H,1,9-10H2,2-4H3/t14-,19?/m1/s1
InChIKey UGKOGWUDRSXQOZ-MJTSIZKDSA-N
Molecular Weight 414.410 g/mol
SMILES Oc1c(cc(C(c2cc3c(OCO3)c(c2)OC)[C@]2(C(C(=O)OC2)=C)[H])cc1OC)OC
SPLASH splash10-014i-0009400000-9ca8f2bcc91671169a22
Source of Spectrum G4-69-794-7
Synonyms (4S)-4-[(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylene-2-oxolanone (4S)-4-[(4-hydroxy-3,5-dimethoxyphenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylideneoxolan-2-one (4S)-4-[(3,5-dimethoxy-4-oxidanyl-phenyl)-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-methylidene-oxolan-2-one
Wiley ID 1694326