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(3R)-8-HYDROXY-6-METHOXY-3-(7-OXYUNDECYL)-3,4-DIHYDROISOCOUMARIN
SpectraBase Compound ID C1XUUjB840P
InChI InChI=1S/C21H30O5/c1-3-4-9-16(22)10-7-5-6-8-11-17-12-15-13-18(25-2)14-19(23)20(15)21(24)26-17/h13-14,17,23H,3-12H2,1-2H3/t17-/m1/s1
InChIKey BLTFKHOIKPIAEJ-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 F9Lnz0wrwMa
Name (3R)-8-HYDROXY-6-METHOXY-3-(7-OXYUNDECYL)-3,4-DIHYDROISOCOUMARIN
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-3-4-9-16(22)10-7-5-6-8-11-17-12-15-13-18(25-2)14-19(23)20(15)21(24)26-17/h13-14,17,23H,3-12H2,1-2H3/t17-/m1/s1
InChIKey BLTFKHOIKPIAEJ-QGZVFWFLSA-N
Literature Reference Author A.F.BARRERO,E.CABRERA,I.RODRIGUEZ,E.M.FERNANDEZ-GALLEGO
Literature Reference Citation PHYTOCHEM.,36,189(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97037-7
Molecular Weight 362.466 g/mol
Solvent CDCl3
Source File Reference UWLU25949