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(3R,9'S)-3-(9'-ACETOXYUNDECYL)-6,8-DIACETOXY-3,4-DIHYDROISOCOUMARIN
SpectraBase Compound ID 4BbPblrfXNE
InChI InChI=1S/C26H36O8/c1-5-21(31-17(2)27)12-10-8-6-7-9-11-13-22-14-20-15-23(32-18(3)28)16-24(33-19(4)29)25(20)26(30)34-22/h15-16,21-22H,5-14H2,1-4H3/t21-,22-/m1/s1
InChIKey ACSDZPBAUFLKJN-FGZHOGPDSA-N
Mol Weight 476.6 g/mol
Molecular Formula C26H36O8
Exact Mass 476.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlOmXQkzYN6
Name (3R,9'S)-3-(9'-ACETOXYUNDECYL)-6,8-DIACETOXY-3,4-DIHYDROISOCOUMARIN
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H36O8
InChI InChI=1S/C26H36O8/c1-5-21(31-17(2)27)12-10-8-6-7-9-11-13-22-14-20-15-23(32-18(3)28)16-24(33-19(4)29)25(20)26(30)34-22/h15-16,21-22H,5-14H2,1-4H3/t21-,22-/m1/s1
InChIKey ACSDZPBAUFLKJN-FGZHOGPDSA-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 476.567 g/mol
Solvent CDCl3
Source File Reference UWLU24572