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Ailanthinone
SpectraBase Compound ID CwwsBk05b41
InChI InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,15-,16-,17-,18-,19-,22?,23-,24+,25+/m1/s1
InChIKey GCIFFNDSOLTCAI-UMDLFDGJSA-N
Mol Weight 478.5 g/mol
Molecular Formula C25H34O9
Exact Mass 478.220283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXQgrKpxwUz
Name AILANTHINONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O9
InChI InChI=1S/C25H34O9/c1-6-10(2)20(29)34-17-16-12(4)18(27)25(31)22-23(5)13(11(3)7-14(26)19(23)28)8-15(33-21(17)30)24(16,22)9-32-25/h7,10,12-13,15-19,22,27-28,31H,6,8-9H2,1-5H3/t10?,12-,13+,15-,16-,17-,18-,19-,22?,23-,24+,25+/m1/s1
InChIKey GCIFFNDSOLTCAI-UMDLFDGJSA-N
Literature Reference Author Y.USAMI,K.NAKAGAWA-GOTO,J.Y.LANG,Y.KIM,C.Y.LAI,M.GOTO,N.SAKU RAI,M.TANIGUCHI,T.AK
Literature Reference Citation J.NAT.PROD.,73,1553(2010)
Literature Reference DOI 10.1021/np100406d
Molecular Weight 478.540 g/mol
Sample ID 36361
Solvent CDCl3