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(+)-(2S,3S)-2-(3'',4''-METHYLENEDIOXYBENZYL)-3-(3',4'-METHYLENEDIOXYACETOPHENONE)-BUTYROLACTONE
SpectraBase Compound ID IkBK2T3qAs6
InChI InChI=1S/C21H18O7/c1-21(19(22)13-3-5-16-18(8-13)28-11-26-16)9-24-20(23)14(21)6-12-2-4-15-17(7-12)27-10-25-15/h2-5,7-8,14H,6,9-11H2,1H3/t14-,21-/m1/s1
InChIKey LUIYQFIWNZXEOR-SPLOXXLWSA-N
Mol Weight 382.37 g/mol
Molecular Formula C21H18O7
Exact Mass 382.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VpvRLLOpEX
Name (+)-(2S,3S)-2-(3'',4''-METHYLENEDIOXYBENZYL)-3-(3',4'-METHYLENEDIOXYACETOPHENONE)-BUTYROLACTONE
Compound Number 1
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O7
InChI InChI=1S/C21H18O7/c1-21(19(22)13-3-5-16-18(8-13)28-11-26-16)9-24-20(23)14(21)6-12-2-4-15-17(7-12)27-10-25-15/h2-5,7-8,14H,6,9-11H2,1H3/t14-,21-/m1/s1
InChIKey LUIYQFIWNZXEOR-SPLOXXLWSA-N
Literature Reference Author J.B.G.SIQUEIRA,M.D.G.B.ZOGHBI,J.A.CABRAL,W.W.FILHO
Literature Reference Citation J.NAT.PROD.,58,730(1995)
Literature Reference DOI 10.1021/np50119a011
Molecular Weight 382.370 g/mol
Solvent CDCl3
Source File Reference UWVP4072