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Brucein B triacetate
SpectraBase Compound ID JUWE9gpZzxE
InChI InChI=1S/C29H34O14/c1-11-16-8-18-28-10-38-29(26(36)37-7,23(28)21(25(35)43-18)41-14(4)32)24(42-15(5)33)20(40-13(3)31)22(28)27(16,6)9-17(34)19(11)39-12(2)30/h16,18,20-24H,8-10H2,1-7H3/t16-,18+,20-,21+,22+,23+,24-,27-,28+,29-/m0/s1
InChIKey PZOLXTLBGRAFOL-KWLLRIGWSA-N
Mol Weight 606.6 g/mol
Molecular Formula C29H34O14
Exact Mass 606.194856 g/mol
Enantiomer InChIKey PZOLXTLBGRAFOL-PJPTYZSISA-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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