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(3R*,4R*)-3-(3,4-Methylenedioxybenzyl)-4-[.alpha.(S*)-.alpha.-acetyloxy-3,4-dimethoxybenzyl]-.gamma.-butyrolactone
SpectraBase Compound ID H9H0VbMRCi9
InChI InChI=1S/C23H24O8/c1-13(24)31-22(15-5-7-18(26-2)20(10-15)27-3)17-11-28-23(25)16(17)8-14-4-6-19-21(9-14)30-12-29-19/h4-7,9-10,16-17,22H,8,11-12H2,1-3H3/t16-,17+,22-/m1/s1
InChIKey YWCFTDARIHHKHZ-HYFFOGBASA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 73wrB62x3VA
Name (3R*,4R*)-3-(3,4-Methylenedioxybenzyl)-4-[.alpha.(S*)-.alpha.-acetyloxy-3,4-dimethoxybenzyl]-.gamma.-butyrolactone
Alternate Name(s) Acetic acid [(S)-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-oxolanyl]-(3,4-dimethoxyphenyl)methyl] ester [(S)-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxooxolan-3-yl]-(3,4-dimethoxyphenyl)methyl] acetate [(S)-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxo-tetrahydrofuran-3-yl]-(3,4-dimethoxyphenyl)methyl] acetate [(S)-[(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-5-oxidanylidene-oxolan-3-yl]-(3,4-dimethoxyphenyl)methyl] ethanoate
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Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-13(24)31-22(15-5-7-18(26-2)20(10-15)27-3)17-11-28-23(25)16(17)8-14-4-6-19-21(9-14)30-12-29-19/h4-7,9-10,16-17,22H,8,11-12H2,1-3H3/t16-,17+,22-/m1/s1
InChIKey YWCFTDARIHHKHZ-HYFFOGBASA-N
Molecular Weight 428.437 g/mol
SMILES [C@@]1([C@](C(=O)OC1)(Cc1cc2OCOc2cc1)[H])([C@@](c1cc(OC)c(cc1)OC)(OC(=O)C)[H])[H]
SPLASH splash10-014r-0900200000-78b245f731b711ac4654
Source of Spectrum PS-0-2750-4
Wiley ID 786849