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(-)-(4R,5R)-4-(3',4'-methylenedioxybenzyl)-5-(1-menthyloxy)butyrolactone

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(-)-(4R,5R)-4-(3',4'-methylenedioxybenzyl)-5-(1-menthyloxy)butyrolactone
SpectraBase Compound ID 1L3khEZaCGv
InChI InChI=1S/C22H30O5/c1-14(2)16-6-8-22(3,9-7-16)27-21-17(12-20(23)26-21)10-15-4-5-18-19(11-15)25-13-24-18/h4-5,11,14,16-17,21H,6-10,12-13H2,1-3H3/t16?,17-,21+,22?/m1/s1
InChIKey RRMZAHQTXSDADS-VHTLIVBZSA-N
Mol Weight 374.48 g/mol
Molecular Formula C22H30O5
Exact Mass 374.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JETyKi6oPcM
Name (-)-(4R,5R)-4-(3',4'-methylenedioxybenzyl)-5-(1-menthyloxy)butyrolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.209324061 u
Formula C22H30O5
InChI InChI=1S/C22H30O5/c1-14(2)16-6-8-22(3,9-7-16)27-21-17(12-20(23)26-21)10-15-4-5-18-19(11-15)25-13-24-18/h4-5,11,14,16-17,21H,6-10,12-13H2,1-3H3/t16?,17-,21+,22?/m1/s1
InChIKey RRMZAHQTXSDADS-VHTLIVBZSA-N
Molecular Weight 374.477 g/mol
SMILES [C@@]1(OC(C[C@]1(CC=1C=C2OCOC2=CC1)[H])=O)(OC1(CCC(CC1)C(C)C)C)[H]