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(3R,9'S)-3-(9'-HYDROXYUNDECYL)-6,8-DIMETHOXY-3,4-DIHYDROISOCOUMARIN
SpectraBase Compound ID 4uvk1K43mfz
InChI InChI=1S/C22H34O5/c1-4-17(23)11-9-7-5-6-8-10-12-18-13-16-14-19(25-2)15-20(26-3)21(16)22(24)27-18/h14-15,17-18,23H,4-13H2,1-3H3/t17-,18+/m0/s1
InChIKey NNMRUQZUPWNXCM-ZWKOTPCHSA-N
Mol Weight 378.5 g/mol
Molecular Formula C22H34O5
Exact Mass 378.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Y0PQrqURLR
Name (3R,9'S)-3-(9'-HYDROXYUNDECYL)-6,8-DIMETHOXY-3,4-DIHYDROISOCOUMARIN
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O5
InChI InChI=1S/C22H34O5/c1-4-17(23)11-9-7-5-6-8-10-12-18-13-16-14-19(25-2)15-20(26-3)21(16)22(24)27-18/h14-15,17-18,23H,4-13H2,1-3H3/t17-,18+/m0/s1
InChIKey NNMRUQZUPWNXCM-ZWKOTPCHSA-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 378.509 g/mol
Solvent CDCl3
Source File Reference UWLU24571