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(3R)-8-HYDROXY-6-METHOXY-3-(6-HYDROXY-5-OXOUNDECYL)-3,4-DIHYDROISOCOUMARIN
SpectraBase Compound ID BlNGAMqDUwg
InChI InChI=1S/C21H30O6/c1-3-4-5-9-17(22)18(23)10-7-6-8-15-11-14-12-16(26-2)13-19(24)20(14)21(25)27-15/h12-13,15,17,22,24H,3-11H2,1-2H3/t15-,17?/m0/s1
InChIKey CKWARDAFJLTCQW-MYJWUSKBSA-N
Mol Weight 378.47 g/mol
Molecular Formula C21H30O6
Exact Mass 378.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBt9KcB9DaN
Name (3R)-8-HYDROXY-6-METHOXY-3-(6-HYDROXY-5-OXOUNDECYL)-3,4-DIHYDROISOCOUMARIN
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O6
InChI InChI=1S/C21H30O6/c1-3-4-5-9-17(22)18(23)10-7-6-8-15-11-14-12-16(26-2)13-19(24)20(14)21(25)27-15/h12-13,15,17,22,24H,3-11H2,1-2H3/t15-,17?/m0/s1
InChIKey CKWARDAFJLTCQW-MYJWUSKBSA-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 378.466 g/mol
Solvent CDCl3
Source File Reference UWLU25950