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MOLLICELLIN_N
SpectraBase Compound ID Lj8bzmeq6fE
InChI InChI=1S/C21H18O8/c1-8-5-11(23)10(7-22)17-13(8)20(26)28-19-15(25)18-14(9(2)16(19)27-17)12(24)6-21(3,4)29-18/h5,7,23,25H,6H2,1-4H3
InChIKey FMZRBSGCMFABIX-UHFFFAOYSA-N
Mol Weight 398.37 g/mol
Molecular Formula C21H18O8
Exact Mass 398.100168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KqbU0piV7JD
Name MOLLICELLIN_N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18O8
InChI InChI=1S/C21H18O8/c1-8-5-11(23)10(7-22)17-13(8)20(26)28-19-15(25)18-14(9(2)16(19)27-17)12(24)6-21(3,4)29-18/h5,7,23,25H,6H2,1-4H3
InChIKey FMZRBSGCMFABIX-UHFFFAOYSA-N
Literature Reference Author P.KHUMKOMKHET,S.KANOKMEDHAKUL,K.KANOKMEDHAKUL,C.HAHNVAJANAWO NG,K.SOYTONG
Literature Reference Citation J.NAT.PROD.,72,1487(2009)
Literature Reference DOI 10.1021/np9003189
Molecular Weight 398.369 g/mol
Sample ID 33388
Solvent CDCl3