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Brucein C triacetate
SpectraBase Compound ID GwQdXfvxXbJ
InChI InChI=1S/C34H42O15/c1-14(31(6,7)42)10-22(39)49-25-27-33-13-44-34(27,30(41)43-9)28(47-18(5)37)24(46-17(4)36)26(33)32(8)12-20(38)23(45-16(3)35)15(2)19(32)11-21(33)48-29(25)40/h10,19,21,24-28,42H,11-13H2,1-9H3/b14-10+/t19-,21+,24+,25+,26+,27+,28-,32-,33+,34-/m0/s1
InChIKey REWZZAPVSLCTQZ-FNERQPRYSA-N
Mol Weight 690.7 g/mol
Molecular Formula C34H42O15
Exact Mass 690.252371 g/mol
Enantiomer InChIKey REWZZAPVSLCTQZ-HUTXILNQSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
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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