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2(S*)-[.alpha.(R*)-hydroxy-3,4-dimethoxybenzyl]-3(S*)-[3,4-(methylenedioxy)benzoyl]butyrolactone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2(S*)-[.alpha.(R*)-hydroxy-3,4-dimethoxybenzyl]-3(S*)-[3,4-(methylenedioxy)benzoyl]butyrolactone
SpectraBase Compound ID 3RVDFjSj7lr
InChI InChI=1S/C21H20O8/c1-25-14-5-3-12(7-16(14)26-2)20(23)18-13(9-27-21(18)24)19(22)11-4-6-15-17(8-11)29-10-28-15/h3-8,13,18,20,23H,9-10H2,1-2H3/t13-,18+,20+/m1/s1
InChIKey ANIOWRBWNPIAAM-MJWYBRSISA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bc19Jp1dyV4
Name 2(S*)-[.alpha.(R*)-hydroxy-3,4-dimethoxybenzyl]-3(S*)-[3,4-(methylenedioxy)benzoyl]butyrolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.115817596 u
Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-25-14-5-3-12(7-16(14)26-2)20(23)18-13(9-27-21(18)24)19(22)11-4-6-15-17(8-11)29-10-28-15/h3-8,13,18,20,23H,9-10H2,1-2H3/t13-,18+,20+/m1/s1
InChIKey ANIOWRBWNPIAAM-MJWYBRSISA-N
Molecular Weight 400.383 g/mol
SMILES [C@@]1([C@](C(C2=CC=3OCOC3C=C2)=O)(COC1=O)[H])([C@](C=1C=C(OC)C(=CC1)OC)(O)[H])[H]