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2(S*)-[.alpha.(S*)-Acetoxy-3,4-dimethoxybenzyl]-3(S*)-[3,4-(methylenedioxy)benzoyl]butyrolactone
SpectraBase Compound ID KHytqygOhrd
InChI InChI=1S/C23H22O9/c1-12(24)32-22(14-5-6-16(27-2)18(9-14)28-3)20-15(10-29-23(20)26)21(25)13-4-7-17-19(8-13)31-11-30-17/h4-9,15,20,22H,10-11H2,1-3H3/t15-,20+,22-/m1/s1
InChIKey JGLJHZQGEBNRRQ-UPKQVVFYSA-N
Mol Weight 442.42 g/mol
Molecular Formula C23H22O9
Exact Mass 442.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43BzHfUeJRW
Name 2(S*)-[.alpha.(S*)-Acetoxy-3,4-dimethoxybenzyl]-3(S*)-[3,4-(methylenedioxy)benzoyl]butyrolactone
Alternate Name(s) (S)-[(3S,4S)-4-(1,3-benzodioxol-5-ylcarbonyl)-2-oxotetrahydro-3-furanyl](3,4-dimethoxyphenyl)methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O9
InChI InChI=1S/C23H22O9/c1-12(24)32-22(14-5-6-16(27-2)18(9-14)28-3)20-15(10-29-23(20)26)21(25)13-4-7-17-19(8-13)31-11-30-17/h4-9,15,20,22H,10-11H2,1-3H3/t15-,20+,22-/m1/s1
InChIKey JGLJHZQGEBNRRQ-UPKQVVFYSA-N
Molecular Weight 442.420 g/mol
SMILES [C@@]1([C@](C(c2cc3OCOc3cc2)=O)(COC1=O)[H])([C@@](c1cc(OC)c(cc1)OC)(OC(=O)C)[H])[H]
SPLASH splash10-000t-0931000000-f5772be2bc2624a1b13f
Source of Spectrum J-60-1152-9
Wiley ID 1385268