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(3S,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(hydroxy(4-methoxyphenyl)methyl)-dihydrofuran-2(3H)-one
SpectraBase Compound ID 7rul53Zjhy7
InChI InChI=1S/C20H20O6/c1-23-15-5-3-13(4-6-15)19(21)18-14(10-24-20(18)22)8-12-2-7-16-17(9-12)26-11-25-16/h2-7,9,14,18-19,21H,8,10-11H2,1H3/t14-,18-,19?/m0/s1
InChIKey PCTUPZPAYKOORH-ZWSMLAFMSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Gr4ZETxdnaC
Name (3S,4R)-4-(Benzo[D][1,3]dioxol-5-ylmethyl)-3-(hydroxy(4-methoxyphenyl)methyl)-dihydrofuran-2(3H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.125988358 u
Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-23-15-5-3-13(4-6-15)19(21)18-14(10-24-20(18)22)8-12-2-7-16-17(9-12)26-11-25-16/h2-7,9,14,18-19,21H,8,10-11H2,1H3/t14-,18-,19?/m0/s1
InChIKey PCTUPZPAYKOORH-ZWSMLAFMSA-N
Molecular Weight 356.374 g/mol
SMILES [C@]1(C(OC[C@@]1(CC=1C=C2OCOC2=CC1)[H])=O)(C(C1=CC=C(C=C1)OC)O)[H]