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(2-R,3-S)-2-(4-HYDROXY-3,5-DIMETHOXYENZOYL)-3-(5-METHOXY-3,4-METHYLENEDIOXYBENZYL)-BUTYROLACTONE
SpectraBase Compound ID Gs8fMu5BtH0
InChI InChI=1S/C22H22O9/c1-26-14-7-12(8-15(27-2)20(14)24)19(23)18-13(9-29-22(18)25)4-11-5-16(28-3)21-17(6-11)30-10-31-21/h5-8,13,18,24H,4,9-10H2,1-3H3/t13-,18+/m0/s1
InChIKey SBFWGSQTPPNJCO-SCLBCKFNSA-N
Mol Weight 430.41 g/mol
Molecular Formula C22H22O9
Exact Mass 430.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzJEk0tUrVe
Name (2-R,3-S)-2-(4-HYDROXY-3,5-DIMETHOXYENZOYL)-3-(5-METHOXY-3,4-METHYLENEDIOXYBENZYL)-BUTYROLACTONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O9
InChI InChI=1S/C22H22O9/c1-26-14-7-12(8-15(27-2)20(14)24)19(23)18-13(9-29-22(18)25)4-11-5-16(28-3)21-17(6-11)30-10-31-21/h5-8,13,18,24H,4,9-10H2,1-3H3/t13-,18+/m0/s1
InChIKey SBFWGSQTPPNJCO-SCLBCKFNSA-N
Literature Reference Author N.LI,J.L.WU,T.HASEGAWA,J.I.SAKAI,L.WANG,S.KAKUTA,Y.FURUYA,A. TOMIDA,T.TSURUO,M.AN
Literature Reference Citation J.NAT.PROD.,69,234(2006)
Literature Reference DOI 10.1021/np050417o
Molecular Weight 430.411 g/mol
Solvent CDCl3
Source File Reference UWMZ16964