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(2-S,3-S)-2-(3,4-HYDROXY-5-METHOXYBENZYL)-3-(5-METHOXY-3,4-METHYLENEDIOXYBENZYL)-BUTYROLACTONE
SpectraBase Compound ID o0UaZvJZZK
InChI InChI=1S/C21H22O8/c1-25-16-6-12(5-15(22)19(16)23)4-14-13(9-27-21(14)24)3-11-7-17(26-2)20-18(8-11)28-10-29-20/h5-8,13-14,22-23H,3-4,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKey LGXHPTUKHKWYCU-KBPBESRZSA-N
Mol Weight 402.4 g/mol
Molecular Formula C21H22O8
Exact Mass 402.131468 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Lm8wntao9C
Name (2-S,3-S)-2-(3,4-HYDROXY-5-METHOXYBENZYL)-3-(5-METHOXY-3,4-METHYLENEDIOXYBENZYL)-BUTYROLACTONE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O8
InChI InChI=1S/C21H22O8/c1-25-16-6-12(5-15(22)19(16)23)4-14-13(9-27-21(14)24)3-11-7-17(26-2)20-18(8-11)28-10-29-20/h5-8,13-14,22-23H,3-4,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKey LGXHPTUKHKWYCU-KBPBESRZSA-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 402.401 g/mol
Solvent CDCl3
Source File Reference UWMZ16962