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EPICOCCIN_J

View entire compound with spectra: 1 NMR

EPICOCCIN_J
SpectraBase Compound ID 2zKqW41St9Q
InChI InChI=1S/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKey QOXQVMHGUNMPOZ-RIJSRGPQSA-N
Mol Weight 452.54 g/mol
Molecular Formula C20H24N2O6S2
Exact Mass 452.107579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTDiiCE02Rv
Name EPICOCCIN_J
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24N2O6S2
InChI InChI=1S/C20H24N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3,5,9-10,13-16,25-26H,4,6-8H2,1-2H3/t9-,10-,13-,14-,15-,16-,19+,20+/m0/s1
InChIKey QOXQVMHGUNMPOZ-RIJSRGPQSA-N
Literature Reference Author J.M.WANG,G.Z.DING,L.FANG,J.G.DAI,S.S.YU,Y.H.WANG,X.G.CHEN,S. G.MA,J.QU,S.XU,D.DU
Literature Reference Citation J.NAT.PROD.,73,1240(2010)
Literature Reference DOI 10.1021/np1000895
Molecular Weight 452.540 g/mol
Sample ID 36446
Solvent DMSO-D6