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Quassin
SpectraBase Compound ID 8SSPHJizefz
InChI InChI=1S/C22H28O6/c1-10-7-14(26-5)20(25)22(4)12(10)8-15-21(3)13(9-16(23)28-15)11(2)18(27-6)17(24)19(21)22/h7,10,12-13,15,19H,8-9H2,1-6H3/t10-,12+,13+,15-,19+,21-,22+/m0/s1
InChIKey IOSXSVZRTUWBHC-PADFQLFOSA-N
Mol Weight 388.46 g/mol
Molecular Formula C22H28O6
Exact Mass 388.188589 g/mol
Enantiomer InChIKey IOSXSVZRTUWBHC-LBTVDEKVSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent DMSO-D6
Title Journal or Book Year
Carbon-13 nuclear magnetic resonance spectroscopy of naturally occurring substances. XXXI. Carbon-13 nuclear magnetic resonance spectral analysis of quassinoid bitter principles The Journal of Organic Chemistry 1975

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