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FERRUGINENE_C;MAJOR_ISOMER
SpectraBase Compound ID FSOlPK2eFzt
InChI InChI=1S/C22H30O3/c1-13(2)19(23)9-7-16(5)17-8-6-14(3)10-18(17)22-20(24)11-15(4)12-21(22)25/h10-12,17-19,23-25H,1,5-9H2,2-4H3/t17-,18+,19?/m0/s1
InChIKey LQECQNLKIZLVSL-PAMZHZACSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JMPYalbqtJ
Name FERRUGINENE_C;MINOR_ISOMER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-13(2)19(23)9-7-16(5)17-8-6-14(3)10-18(17)22-20(24)11-15(4)12-21(22)25/h10-12,17-19,23-25H,1,5-9H2,2-4H3/t17-,18+,19?/m0/s1
InChIKey LQECQNLKIZLVSL-PAMZHZACSA-N
Literature Reference Author P.SEEPHONKAI,R.POPESCU,M.ZEHL,G.KRUPITZA,E.URBAN,B.KOPP
Literature Reference Citation J.NAT.PROD.,74,712(2011)
Literature Reference DOI 10.1021/np100778k
Molecular Weight 342.478 g/mol
Sample ID 37276
Solvent CDCl3