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(2S,3S)-2-(4''-methoxy-3''-hydroxybenzyl)-3-(3'-methoxy-4'-hydroxybenzyl)-.gamma.-butyrolactone
SpectraBase Compound ID IxmTpz5R02G
InChI InChI=1S/C20H22O6/c1-24-18-6-4-13(9-17(18)22)8-15-14(11-26-20(15)23)7-12-3-5-16(21)19(10-12)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m1/s1
InChIKey ARHRTBJYFHSMDL-CABCVRRESA-N
Mol Weight 358.39 g/mol
Molecular Formula C20H22O6
Exact Mass 358.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8xNxEBcfKgX
Name (2S,3S)-2-(4''-methoxy-3''-hydroxybenzyl)-3-(3'-methoxy-4'-hydroxybenzyl)-.gamma.-butyrolactone
Appearance White amorphous powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O6
InChI InChI=1S/C20H22O6/c1-24-18-6-4-13(9-17(18)22)8-15-14(11-26-20(15)23)7-12-3-5-16(21)19(10-12)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m1/s1
InChIKey ARHRTBJYFHSMDL-CABCVRRESA-N
Instrument Name HP5989A DIP
Ionization Type EI
Literature Reference DOI 10.1021/np040113m
Molecular Weight 358.390 g/mol
Optical Rotation [a]D = +23.1 (c = 0.29, CHCl3)
SMILES Oc1c(cc(C[C@@]2(COC([C@]2(Cc2cc(c(cc2)OC)O)[H])=O)[H])cc1)OC
SPLASH splash10-0a4r-1809000000-337aac5e46200c625117
Source of Spectrum G4-67-1983-2a
Thin-Layer Chromatography Rf = 0.58 (CHCl3/MeOH, 9:1)
Wiley ID 1881602