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MOLLICELLIN_M

View entire compound with spectra: 1 NMR

MOLLICELLIN_M
SpectraBase Compound ID Gfgb8bAx0YC
InChI InChI=1S/C21H17ClO7/c1-8-15-19(10(7-23)17(25)16(8)22)27-13-5-12-14(9(2)18(13)28-20(15)26)11(24)6-21(3,4)29-12/h5,7,25H,6H2,1-4H3
InChIKey LBLDXSZDCOFIAT-UHFFFAOYSA-N
Mol Weight 416.81 g/mol
Molecular Formula C21H17ClO7
Exact Mass 416.066281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EDx7zsonzSg
Name MOLLICELLIN_M
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H17ClO7
InChI InChI=1S/C21H17ClO7/c1-8-15-19(10(7-23)17(25)16(8)22)27-13-5-12-14(9(2)18(13)28-20(15)26)11(24)6-21(3,4)29-12/h5,7,25H,6H2,1-4H3
InChIKey LBLDXSZDCOFIAT-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 416.815 g/mol
Sample ID 33386
Solvent CDCl3