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3-(.alpha.hydroxy-3",4"-methylenedioxybenzyl)-2-(3',4',5'-trimethoxy-.alpha.-phenylthiobenzyl)-.gamma.-butyrolactone
SpectraBase Compound ID 1oyOkomWPwV
InChI InChI=1S/C28H28O8S/c1-31-22-12-18(13-23(32-2)27(22)33-3)37-28(16-7-5-4-6-8-16)26-19(14-24(29)36-26)25(30)17-9-10-20-21(11-17)35-15-34-20/h4-13,19,25-26,28,30H,14-15H2,1-3H3
InChIKey JPHPPJJLZALMHP-UHFFFAOYSA-N
Mol Weight 524.58 g/mol
Molecular Formula C28H28O8S
Exact Mass 524.150489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cceaArt1sG
Name 3-(.alpha.hydroxy-3",4"-methylenedioxybenzyl)-2-(3',4',5'-trimethoxy-.alpha.-phenylthiobenzyl)-.gamma.-butyrolactone
CAS Registry Number 118917-49-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H28O8S
InChI InChI=1S/C28H28O8S/c1-31-22-12-18(13-23(32-2)27(22)33-3)37-28(16-7-5-4-6-8-16)26-19(14-24(29)36-26)25(30)17-9-10-20-21(11-17)35-15-34-20/h4-13,19,25-26,28,30H,14-15H2,1-3H3
InChIKey JPHPPJJLZALMHP-UHFFFAOYSA-N
Molecular Weight 524.584 g/mol
SMILES OC(C1C(OC(=O)C1)C(Sc1cc(OC)c(c(c1)OC)OC)c1ccccc1)c1cc2OCOc2cc1
SPLASH splash10-03di-0002900000-0db6009012de322aafd0
Source of Spectrum KC-1988-1612-23
Synonyms 4-[2H-1,3-benzodioxol-5-yl(hydroxy)methyl]-5-{phenyl[(3,4,5-trimethoxyphenyl)sulfanyl]methyl}oxolan-2-one
Wiley ID 1402510