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(3R)-8-HYDROXY-6-METHOXY-3-(10'-OXOUNDECYL)-3,4-DIHYDROISOCOUMARIN
SpectraBase Compound ID 1e1b2m8165G
InChI InChI=1S/C21H30O5/c1-15(22)10-8-6-4-3-5-7-9-11-17-12-16-13-18(25-2)14-19(23)20(16)21(24)26-17/h13-14,17,23H,3-12H2,1-2H3/t17-/m1/s1
InChIKey JCOZPUQSZXUYRZ-QGZVFWFLSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eCNxM8UJjB
Name (3R)-8-HYDROXY-6-METHOXY-3-(10'-OXOUNDECYL)-3,4-DIHYDROISOCOUMARIN
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-15(22)10-8-6-4-3-5-7-9-11-17-12-16-13-18(25-2)14-19(23)20(16)21(24)26-17/h13-14,17,23H,3-12H2,1-2H3/t17-/m1/s1
InChIKey JCOZPUQSZXUYRZ-QGZVFWFLSA-N
Literature Reference Author A.F.BARRERO,E.CABRERA,I.RODRIGUEZ,F.PLANELLES
Literature Reference Citation PHYTOCHEM.,35,493(1994)
Literature Reference DOI 10.1016/S0031-9422(00)94789-7
Molecular Weight 362.466 g/mol
Solvent CDCl3
Source File Reference UWLU24566